Chemical_List_ATTACHMENT_1.xlsx
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Chemical List-Attachment 1
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| Combined_Synopsis_-FEDBIZOPS5_Final.docx | DOCX document | |
| Provisions_.docx | DOCX document | |
| Clauses.docx | DOCX document |
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CLIN 0001
| Attachment 1 CHEMICAL LIST | ||||||||
| IUPAC Name | MW | Molecular Formula | InChIKey (No stereochemistry) | InChIKey | SMILES | InChI | CNC_ID | Price |
| 4-allyl-5-[(4-fluorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol | 265.31 | C12H12O1N3S1F1 | MBIRTPPVLYZFHM | MBIRTPPVLYZFHM-UHFFFAOYSA-N | C=CCn1c(S)nnc1COc1ccc(F)cc1 | InChI=1S/C12H12FN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-5-3-9(13)4-6-10/h2-6H,1,7-8H2,(H,15,18) | 363273871 | |
| 2-(4-bromophenyl)-6-(4-chlorophenyl)isonicotinic acid | 388.65 | C18H11O2N1Cl1Br1 | APLDOGUHCNVFLZ | APLDOGUHCNVFLZ-UHFFFAOYSA-N | O=C(O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Br)cc2)c1 | InChI=1S/C18H11BrClNO2/c19-14-5-1-11(2-6-14)16-9-13(18(22)23)10-17(21-16)12-3-7-15(20)8-4-12/h1-10H,(H,22,23) | 371387299 | |
| 1-(1-methyl-1-phenylethyl)piperidine | 203.33 | C14H21N1 | HORGQLWAZQOQNU | HORGQLWAZQOQNU-UHFFFAOYSA-N | CC(C)(c1ccccc1)N1CCCCC1 | InChI=1S/C14H21N/c1-14(2,13-9-5-3-6-10-13)15-11-7-4-8-12-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3 | 414313515 | |
| 1,1,9,9a-tetramethyl-1,3a,4,7,8,9,9a,9b-octahydro-5H-naphtho[2,1-c][1,2]dioxol-5-one | 250.34 | C15H22O3 | KXGHHSIMRWPVQM | KXGHHSIMRWPVQM-UHFFFAOYSA-N | CC1CCC=C2C(=O)CC3OOC(C)(C)C3C21C | InChI=1S/C15H22O3/c1-9-6-5-7-10-11(16)8-12-13(15(9,10)4)14(2,3)18-17-12/h7,9,12-13H,5-6,8H2,1-4H3 | 1062562548 | |
| (2S,4S)-4-cyclohexyl-2-pyrrolidinecarboxylic acid | 197.28 | C11H19O2N1 | XRZWVSXEDRYQGC | XRZWVSXEDRYQGC-ZJUUUORDSA-N | [H]C1(C2CCCCC2)CNC([H])(C(=O)O)C1 | InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1 | 410505712 | |
| 4-cyanophenyl acetate | 161.16 | C9H7O2N1 | CJGXWABHYYJNJH | CJGXWABHYYJNJH-UHFFFAOYSA-N | CC(=O)Oc1ccc(C#N)cc1 | InChI=1S/C9H7NO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3 | 333210181 | |
| 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | 362.23 | C15H16O1N5Br1 | XWQCDOISHBZRCV | XWQCDOISHBZRCV-UHFFFAOYSA-N | CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)nc2[nH]1 | InChI=1S/C15H16BrN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-8H,2-3,9H2,1H3,(H2,17,18,19,20) | 150223675 | |
| 6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol | 193.25 | C11H15O2N1 | FELOSQQXIHRUSH | FELOSQQXIHRUSH-UHFFFAOYSA-N | COc1cc2c(cc1O)CN(C)CC2 | InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3 | 19578676 | |
| 4,4'-(1-cyanoethane-1,2-diyl)dibenzonitrile | 257.3 | C17H11N3 | CZSUCJJIYBEUFD | CZSUCJJIYBEUFD-UHFFFAOYSA-N | N#Cc1ccc(CC(C#N)c2ccc(C#N)cc2)cc1 | InChI=1S/C17H11N3/c18-10-14-3-1-13(2-4-14)9-17(12-20)16-7-5-15(11-19)6-8-16/h1-8,17H,9H2 | 423867435 | |
| (6-bromo-2-pyridinyl)methanol | 188.02 | C6H6O1N1Br1 | XDDGKNRSCDEWBR | XDDGKNRSCDEWBR-UHFFFAOYSA-N | OCc1cccc(Br)n1 | InChI=1S/C6H6BrNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2 | 1058992016 | |
| 2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acid | 241.22 | C10H5O2N1S1F2 | OTYUISIBOBUOEO | OTYUISIBOBUOEO-UHFFFAOYSA-N | O=C(O)c1csc(-c2c(F)cccc2F)n1 | InChI=1S/C10H5F2NO2S/c11-5-2-1-3-6(12)8(5)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15) | 295068884 | |
| 4,4-difluoro-3-oxobutanenitrile | 119.07 | C4H3O1N1F2 | KNAXQRABRBXMGC | KNAXQRABRBXMGC-UHFFFAOYSA-N | N#CCC(=O)C(F)F | InChI=1S/C4H3F2NO/c5-4(6)3(8)1-2-7/h4H,1H2 | 402267886 | |
| 4-(aminocarbonyl)benzenesulfonyl chloride | 219.65 | C7H6O3N1Cl1S1 | YWMSSKBMOFPBDM | YWMSSKBMOFPBDM-UHFFFAOYSA-N | NC(=O)c1ccc(S(=O)(=O)Cl)cc1 | InChI=1S/C7H6ClNO3S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10) | 68330891 | |
| 2-(2,5-dichlorophenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one | 243.09 | C10H8O1N2Cl2 | MSNMEZSDLXYGAB | MSNMEZSDLXYGAB-UHFFFAOYSA-N | Cc1cc(=O)n(-c2cc(Cl)ccc2Cl)[nH]1 | InChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)9-5-7(11)2-3-8(9)12/h2-5,13H,1H3 | 444079368 | |
| 3-methylphenyl hexanoate | 206.28 | C13H18O2 | KFAYELJEHIGXQO | KFAYELJEHIGXQO-UHFFFAOYSA-N | CCCCCC(=O)Oc1cccc(C)c1 | InChI=1S/C13H18O2/c1-3-4-5-9-13(14)15-12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3 | 344683239 | |
| 6-(dimethylamino)-2-naphthoic acid | 215.25 | C13H13O2N1 | OAPBBTYSMWBVPM | OAPBBTYSMWBVPM-UHFFFAOYSA-N | CN(C)c1ccc2cc(C(=O)O)ccc2c1 | InChI=1S/C13H13NO2/c1-14(2)12-6-5-9-7-11(13(15)16)4-3-10(9)8-12/h3-8H,1-2H3,(H,15,16) | 465562318 | |
| 2-chloro-2,2-difluoroethanol | 116.49 | C2H3O1Cl1F2 | KWSLNKPYNZTHLJ | KWSLNKPYNZTHLJ-UHFFFAOYSA-N | OCC(F)(F)Cl | InChI=1S/C2H3ClF2O/c3-2(4,5)1-6/h6H,1H2 | 457510062 | |
| 1-(1-bromoethyl)-2,4-dichlorobenzene | 253.95 | C8H7Cl2Br1 | YXQINLRLOBXZTF | YXQINLRLOBXZTF-UHFFFAOYSA-N | CC(Br)c1ccc(Cl)cc1Cl | InChI=1S/C8H7BrCl2/c1-5(9)7-3-2-6(10)4-8(7)11/h2-5H,1H3 | 238713789 | |
| 5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic acid | 332.31 | C16H16O6N2 | JPXPPUOCSLMCHK | JPXPPUOCSLMCHK-UHFFFAOYSA-N | COC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1 | InChI=1S/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20) | 183183410 | |
| 6-fluoro-2(1H)-pyridinone | 113.09 | C5H4O1N1F1 | AJRUXHIEYSYRQJ | AJRUXHIEYSYRQJ-UHFFFAOYSA-N | Oc1cccc(F)n1 | InChI=1S/C5H4FNO/c6-4-2-1-3-5(8)7-4/h1-3H,(H,7,8) | 379282414 | |
| N,N'-bis(4-hydroxycyclohexyl)urea | 256.35 | C13H24O3N2 | CHWFTRBAEVNHFK | CHWFTRBAEVNHFK-UHFFFAOYSA-N | O=C(NC1CCC(O)CC1)NC1CCC(O)CC1 | InChI=1S/C13H24N2O3/c16-11-5-1-9(2-6-11)14-13(18)15-10-3-7-12(17)8-4-10/h9-12,16-17H,1-8H2,(H2,14,15,18) | 414523256 | |
| 4-chloro-2,3,5,6-tetrafluorobenzoyl chloride | 246.97 | C7O1Cl2F4 | BCYRJFXGRNBBAF | BCYRJFXGRNBBAF-UHFFFAOYSA-N | O=C(Cl)c1c(F)c(F)c(Cl)c(F)c1F | InChI=1S/C7Cl2F4O/c8-2-5(12)3(10)1(7(9)14)4(11)6(2)13 | 424288351 | |
| 6-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine | 232.47 | C6H3N3Cl1Br1 | IYPTWTNEWAVBBM | IYPTWTNEWAVBBM-UHFFFAOYSA-N | Clc1ncnc2cc(Br)[nH]c21 | InChI=1S/C6H3BrClN3/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2,11H | 402214101 | |
| 2-(4-bromophenyl)pyrimidine | 235.08 | C10H7N2Br1 | PFLPZHPQFNFTRF | PFLPZHPQFNFTRF-UHFFFAOYSA-N | Brc1ccc(-c2ncccn2)cc1 | InChI=1S/C10H7BrN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7H | 448419858 | |
| (2E)-3-(2-chloro-3,6-difluorophenyl)-2-propenoic acid | 218.59 | C9H5O2Cl1F2 | IHWVLAUNJHXFGN | IHWVLAUNJHXFGN-DAFODLJHSA-N | O=C(O)C=Cc1c(F)ccc(F)c1Cl | InChI=1S/C9H5ClF2O2/c10-9-5(1-4-8(13)14)6(11)2-3-7(9)12/h1-4H,(H,13,14)/b4-1+ | 390487172 | |
| 2-bromo-6-chloronicotinaldehyde | 220.45 | C6H3O1N1Cl1Br1 | QJUXOHWVIDELRC | QJUXOHWVIDELRC-UHFFFAOYSA-N | O=Cc1ccc(Cl)nc1Br | InChI=1S/C6H3BrClNO/c7-6-4(3-10)1-2-5(8)9-6/h1-3H | 379288428 | |
| 2-hydroxyacetamide | 75.07 | C2H5O2N1 | TZGPACAKMCUCKX | TZGPACAKMCUCKX-UHFFFAOYSA-N | NC(=O)CO | InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5) | 580372560 | |
| 1-(2-carboxyethyl)-1H-imidazol-3-ium chloride | 141.15 | C6H9O2N2Cl1 | VSFNAZLYGOOSEY | VSFNAZLYGOOSEY-UHFFFAOYSA-O | O=C(O)CCn1cc[nH+]c1 | InChI=1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)/p+1 | 14244959 | |
| benzyl 3'-fluoro[1,1'-biphenyl]-3-yl ether | 278.33 | C19H15O1F1 | OCNHUSPSZIDALV | OCNHUSPSZIDALV-UHFFFAOYSA-N | Fc1cccc(-c2cccc(OCc3ccccc3)c2)c1 | InChI=1S/C19H15FO/c20-18-10-4-8-16(12-18)17-9-5-11-19(13-17)21-14-15-6-2-1-3-7-15/h1-13H,14H2 | 360883476 | |
| 4-fluoro-2-methyl-1-(methylsulfonyl)benzene | 188.22 | C8H9O2S1F1 | XTECWKSRQPLXSE | XTECWKSRQPLXSE-UHFFFAOYSA-N | Cc1cc(F)ccc1S(C)(=O)=O | InChI=1S/C8H9FO2S/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5H,1-2H3 | 414328922 | |
| 6-bromo-3-fluoropicolinic acid | 220 | C6H3O2N1Br1F1 | XCYYBWHCNWDFMO | XCYYBWHCNWDFMO-UHFFFAOYSA-N | O=C(O)c1nc(Br)ccc1F | InChI=1S/C6H3BrFNO2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,(H,10,11) | 429358283 | |
| 5-bromo-3-chloro-2(1H)-pyridinone | 208.44 | C5H3O1N1Cl1Br1 | IPWYUROVLMVBGD | IPWYUROVLMVBGD-UHFFFAOYSA-N | Oc1ncc(Br)cc1Cl | InChI=1S/C5H3BrClNO/c6-3-1-4(7)5(9)8-2-3/h1-2H,(H,8,9) | 458424874 | |
| [5-methyl-2-(trifluoromethyl)-3-furyl]methanamine | 179.14 | C7H8O1N1F3 | ROYYYTOVBUUPDX | ROYYYTOVBUUPDX-UHFFFAOYSA-N | Cc1cc(CN)c(C(F)(F)F)o1 | InChI=1S/C7H8F3NO/c1-4-2-5(3-11)6(12-4)7(8,9)10/h2H,3,11H2,1H3 | 414334251 | |
| 3-bromo-6-chloro-2-pyridinecarboxylic acid | 236.45 | C6H3O2N1Cl1Br1 | RDZPMWLHALUNCD | RDZPMWLHALUNCD-UHFFFAOYSA-N | O=C(O)c1nc(Cl)ccc1Br | InChI=1S/C6H3BrClNO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11) | 1058988528 | |
| 4-(pentafluoro-lambda~6~-sulfanyl)aniline | 219.18 | C6H6N1S1F5 | MZGZUHNSMNNSRJ | MZGZUHNSMNNSRJ-UHFFFAOYSA-N | Nc1ccc(S(F)(F)(F)(F)F)cc1 | InChI=1S/C6H6F5NS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H,12H2 | 394768043 | |
| 5-methoxy-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | 129.12 | C4H7O2N3 | AMHDHUVBOKXALL | AMHDHUVBOKXALL-UHFFFAOYSA-N | COc1nnc(O)n1C | InChI=1S/C4H7N3O2/c1-7-3(8)5-6-4(7)9-2/h1-2H3,(H,5,8) | 371182288 | |
| 6-bromo-4-chloro-1H-indazole | 231.48 | C7H4N2Cl1Br1 | MOYPLQILACEGCD | MOYPLQILACEGCD-UHFFFAOYSA-N | Clc1cc(Br)cc2[nH]ncc21 | InChI=1S/C7H4BrClN2/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,(H,10,11) | 379284928 | |
| 4-bromo-7-fluoro-1H-indole-2,3-dione | 244.02 | C8H3O2N1Br1F1 | GEILBCZHJGIPBQ | GEILBCZHJGIPBQ-UHFFFAOYSA-N | O=C1Nc2c(c(Br)ccc2F)C1=O | InChI=1S/C8H3BrFNO2/c9-3-1-2-4(10)6-5(3)7(12)8(13)11-6/h1-2H,(H,11,12,13) | 410498140 | |
| N-(3,3-diphenylpropyl)-2-phenylacetamide | 329.44 | C23H23O1N1 | JFOKDVSVRVUJTI | JFOKDVSVRVUJTI-UHFFFAOYSA-N | O=C(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 | InChI=1S/C23H23NO/c25-23(18-19-10-4-1-5-11-19)24-17-16-22(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,24,25) | 187743565 | |
| diphenyl[2-(triethoxysilyl)ethyl]phosphine | 376.51 | C20H29O3P1Si1 | HLXCYTXLQJWQFG | HLXCYTXLQJWQFG-UHFFFAOYSA-N | CCO[Si](CCP(c1ccccc1)c1ccccc1)(OCC)OCC | InChI=1S/C20H29O3PSi/c1-4-21-25(22-5-2,23-6-3)18-17-24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3 | 428006161 | |
| 3-bromo-4-phenylthiophene | 239.14 | C10H7Br1S1 | VECCHZOLKULHGZ | VECCHZOLKULHGZ-UHFFFAOYSA-N | Brc1cscc1-c1ccccc1 | InChI=1S/C10H7BrS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-7H | 2385611 | |
| 2-(1H-indol-1-yl)ethylamine | 160.22 | C10H12N2 | BXEFQUSYBZYTAE | BXEFQUSYBZYTAE-UHFFFAOYSA-N | NCCn1ccc2ccccc21 | InChI=1S/C10H12N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-5,7H,6,8,11H2 | 423867499 | |
| methyl 3-fluoroimidazo[1,2-a]pyridine-2-carboxylate | 194.17 | C9H7O2N2F1 | XPFMBPZXBGQIIM | XPFMBPZXBGQIIM-UHFFFAOYSA-N | COC(=O)c1nc2ccccn2c1F | InChI=1S/C9H7FN2O2/c1-14-9(13)7-8(10)12-5-3-2-4-6(12)11-7/h2-5H,1H3 | 428133128 | |
| 1-(4-hydroxyphenyl)-2-propen-1-one | 148.16 | C9H8O2 | NKPPNPJUBLEKAD | NKPPNPJUBLEKAD-UHFFFAOYSA-N | C=CC(=O)c1ccc(O)cc1 | InChI=1S/C9H8O2/c1-2-9(11)7-3-5-8(10)6-4-7/h2-6,10H,1H2 | 490047000 | |
| dibenzyl chloromethyl phosphate | 326.72 | C15H16O4Cl1P1 | FVTHQGOGQRTOMY | FVTHQGOGQRTOMY-UHFFFAOYSA-N | O=P(OCCl)(OCc1ccccc1)OCc1ccccc1 | InChI=1S/C15H16ClO4P/c16-13-20-21(17,18-11-14-7-3-1-4-8-14)19-12-15-9-5-2-6-10-15/h1-10H,11-13H2 | 428296551 | |
| (trimethylsilyl)methyl trifluoromethanesulfonate | 236.29 | C5H11O3S1F3Si1 | VMDMAAJZSXXCQV | VMDMAAJZSXXCQV-UHFFFAOYSA-N | C[Si](C)(C)COS(=O)(=O)C(F)(F)F | InChI=1S/C5H11F3O3SSi/c1-13(2,3)4-11-12(9,10)5(6,7)8/h4H2,1-3H3 | 310382854 | |
| methyl 3-(2,4-dinitrophenoxy)-2-thiophenecarboxylate | 324.27 | C12H8O7N2S1 | KBBPQAIKPVUPGG | KBBPQAIKPVUPGG-UHFFFAOYSA-N | COC(=O)c1sccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] | InChI=1S/C12H8N2O7S/c1-20-12(15)11-10(4-5-22-11)21-9-3-2-7(13(16)17)6-8(9)14(18)19/h2-6H,1H3 | 343105050 | |
| N-(sec-butyl)-N-ethylamine | 101.19 | C6H15N1 | KFYKZKISJBGVMR | KFYKZKISJBGVMR-UHFFFAOYSA-N | CCNC(C)CC | InChI=1S/C6H15N/c1-4-6(3)7-5-2/h6-7H,4-5H2,1-3H3 | 447959062 | |
| 6-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid | 210.23 | C10H7O2S1F1 | GUUAYRKGCBXNQL | GUUAYRKGCBXNQL-UHFFFAOYSA-N | Cc1c2ccc(F)cc2sc1C(=O)O | InChI=1S/C10H7FO2S/c1-5-7-3-2-6(11)4-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13) | 414548169 | |
| 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid | 306.37 | C13H10O3N2S2 | BTAWZOYWKHBKQZ | BTAWZOYWKHBKQZ-UHFFFAOYSA-N | Cc1nnc(SCc2c3ccccc3oc2C(=O)O)s1 | InChI=1S/C13H10N2O3S2/c1-7-14-15-13(20-7)19-6-9-8-4-2-3-5-10(8)18-11(9)12(16)17/h2-5H,6H2,1H3,(H,16,17) | 410496362 | |
| N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide | 366.46 | C16H18O4N2S2 | VINDBUONEPJWMV | VINDBUONEPJWMV-UHFFFAOYSA-N | Cc1ccc(OCc2nc(C(=O)NC3CCS(=O)(=O)C3)cs2)cc1 | InChI=1S/C16H18N2O4S2/c1-11-2-4-13(5-3-11)22-8-15-18-14(9-23-15)16(19)17-12-6-7-24(20,21)10-12/h2-5,9,12H,6-8,10H2,1H3,(H,17,19) | 414491165 | |
| 3,5-dimethyl-1H-pyrazole-4-carboxylic acid hydrochloride | 140.14 | C6H9O2N2Cl1 | IOOWDXMXZBYKLR | IOOWDXMXZBYKLR-UHFFFAOYSA-N | Cc1n[nH]c(C)c1C(=O)O | InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10) | 580338453 | |
| (3R)-1,2,3,4-tetrahydro-3-isoquinolinylmethanol | 163.22 | C10H13O1N1 | ZSKDXMLMMQFHGW | ZSKDXMLMMQFHGW-SNVBAGLBSA-N | [H]C1(CO)Cc2ccccc2CN1 | InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1 | 1058991366 | |
| N,N'-di(1,3,4-thiadiazol-2-yl)imidoformamide | 212.26 | C5H4N6S2 | KVOZCHMPXZDMOP | KVOZCHMPXZDMOP-UHFFFAOYSA-N | C(=Nc1nncs1)Nc1nncs1 | InChI=1S/C5H4N6S2/c1(6-4-10-8-2-12-4)7-5-11-9-3-13-5/h1-3H,(H,6,7,10,11) | 447924056 | |
| 3-(4-chlorophenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione | 264.78 | C13H13N2Cl1S1 | NYYCNKZZWVEVIR | NYYCNKZZWVEVIR-UHFFFAOYSA-N | S=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1 | InChI=1S/C13H13ClN2S/c14-10-5-3-9(4-6-10)11-12(17)16-13(15-11)7-1-2-8-13/h3-6H,1-2,7-8H2,(H,16,17) | 389713838 | |
| 5-bromo-2-chloro-1,3-difluorobenzene | 227.43 | C6H2Cl1Br1F2 | SWELJVAWQMCJLG | SWELJVAWQMCJLG-UHFFFAOYSA-N | Fc1cc(Br)cc(F)c1Cl | InChI=1S/C6H2BrClF2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H | 369386037 | |
| N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide | 235.28 | C13H17O3N1 | WZBIMVSWUWZIHN | WZBIMVSWUWZIHN-UHFFFAOYSA-N | CNC(=O)c1ccccc1OC1CCOCC1 | InChI=1S/C13H17NO3/c1-14-13(15)11-4-2-3-5-12(11)17-10-6-8-16-9-7-10/h2-5,10H,6-9H2,1H3,(H,14,15) | 196112430 | |
| (1S,4R)-4-hydroxy-2-cyclopenten-1-yl acetate | 142.15 | C7H10O3 | IJDYOKVVRXZCFD | IJDYOKVVRXZCFD-NKWVEPMBSA-N | [H]C1(O)C=CC([H])(OC(C)=O)C1 | InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7+/m0/s1 | 245847201 | |
| methyl 3-morpholinecarboxylate hydrochloride | 145.16 | C6H12O3N1Cl1 | VVYXIRKYWOEDRA | VVYXIRKYWOEDRA-UHFFFAOYSA-N | COC(=O)C1COCCN1 | InChI=1S/C6H11NO3/c1-9-6(8)5-4-10-3-2-7-5/h5,7H,2-4H2,1H3 | 358813044 | |
| 4-(4-phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one | 350.37 | C21H18O5 | KINMYBBFQRSVLL | KINMYBBFQRSVLL-UHFFFAOYSA-N | O=c1ccc2c(cc3occc3c2OCCCCOc2ccccc2)o1 | InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2 | 457507226 | |
| 2-chloro-5-(trifluoromethyl)benzenesulfonamide | 259.64 | C7H5O2N1Cl1S1F3 | VWGUZQVBGYSBEM | VWGUZQVBGYSBEM-UHFFFAOYSA-N | NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl | InChI=1S/C7H5ClF3NO2S/c8-5-2-1-4(7(9,10)11)3-6(5)15(12,13)14/h1-3H,(H2,12,13,14) | 371464684 | |
| 3-bromo-5-fluoro-4-methylaniline | 204.04 | C7H7N1Br1F1 | PYSVBVGSPMLRRH | PYSVBVGSPMLRRH-UHFFFAOYSA-N | Cc1c(F)cc(N)cc1Br | InChI=1S/C7H7BrFN/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3 | 409815073 | |
| 1,2-dichloro-4-(iodomethyl)benzene | 286.93 | C7H5Cl2I1 | ADWOWXDEIUANIT | ADWOWXDEIUANIT-UHFFFAOYSA-N | Clc1ccc(CI)cc1Cl | InChI=1S/C7H5Cl2I/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4H2 | 771275623 | |
| 1-(3-bromopropoxy)-3-(trifluoromethyl)benzene | 283.09 | C10H10O1Br1F3 | IJXNDTUEYXZHEY | IJXNDTUEYXZHEY-UHFFFAOYSA-N | FC(F)(F)c1cccc(OCCCBr)c1 | InChI=1S/C10H10BrF3O/c11-5-2-6-15-9-4-1-3-8(7-9)10(12,13)14/h1,3-4,7H,2,5-6H2 | 250698596 | |
| 6-bromo-2-naphthyl tert-butyl(dimethyl)silyl ether | 337.33 | C16H21O1Br1Si1 | SSFFBVWGOVGZJB | SSFFBVWGOVGZJB-UHFFFAOYSA-N | CC(C)(C)[Si](C)(C)Oc1ccc2cc(Br)ccc2c1 | InChI=1S/C16H21BrOSi/c1-16(2,3)19(4,5)18-15-9-7-12-10-14(17)8-6-13(12)11-15/h6-11H,1-5H3 | 245492239 | |
| tert-butyl 4-(2-bromo-4-nitrophenyl)-1-piperazinecarboxylate | 386.25 | C15H20O4N3Br1 | WUXKCMOKDQYLPF | WUXKCMOKDQYLPF-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 | InChI=1S/C15H20BrN3O4/c1-15(2,3)23-14(20)18-8-6-17(7-9-18)13-5-4-11(19(21)22)10-12(13)16/h4-5,10H,6-9H2,1-3H3 | 333206160 | |
| 4-bromo-2-chloro-5-fluoropyridine | 210.43 | C5H2N1Cl1Br1F1 | ZRTWQQQUONAULI | ZRTWQQQUONAULI-UHFFFAOYSA-N | Fc1cnc(Cl)cc1Br | InChI=1S/C5H2BrClFN/c6-3-1-5(7)9-2-4(3)8/h1-2H | 379291766 | |
| 2,4-dichloro-1,3-thiazole-5-carboxylic acid | 198.03 | C4H1O2N1Cl2S1 | AMEPJXXVIJZMJL | AMEPJXXVIJZMJL-UHFFFAOYSA-N | O=C(O)c1sc(Cl)nc1Cl | InChI=1S/C4HCl2NO2S/c5-2-1(3(8)9)10-4(6)7-2/h(H,8,9) | 372574149 | |
| 2-(chloromethyl)-6-nitro-1,3-benzoxazole | 212.59 | C8H5O3N2Cl1 | LPTHKRDEKSFWAO | LPTHKRDEKSFWAO-UHFFFAOYSA-N | O=[N+]([O-])c1ccc2nc(CCl)oc2c1 | InChI=1S/C8H5ClN2O3/c9-4-8-10-6-2-1-5(11(12)13)3-7(6)14-8/h1-3H,4H2 | 411784162 | |
| 5-(aminosulfonyl)-3-methyl-2-thiophenecarboxylic acid | 221.26 | C6H7O4N1S2 | GPBSXYJGJLBVJZ | GPBSXYJGJLBVJZ-UHFFFAOYSA-N | Cc1cc(S(N)(=O)=O)sc1C(=O)O | InChI=1S/C6H7NO4S2/c1-3-2-4(13(7,10)11)12-5(3)6(8)9/h2H,1H3,(H,8,9)(H2,7,10,11) | 465542759 | |
| 1-(5-bromo-4-methyl-2-pyridinyl)piperazine | 256.15 | C10H14N3Br1 | KMVMTDWWYHSLGI | KMVMTDWWYHSLGI-UHFFFAOYSA-N | Cc1cc(N2CCNCC2)ncc1Br | InChI=1S/C10H14BrN3/c1-8-6-10(13-7-9(8)11)14-4-2-12-3-5-14/h6-7,12H,2-5H2,1H3 | 245492577 | |
| 1-(4-fluorophenoxy)-4-iodobenzene | 314.1 | C12H8O1F1I1 | VMSOWDQSUSZYOG | VMSOWDQSUSZYOG-UHFFFAOYSA-N | Fc1ccc(Oc2ccc(I)cc2)cc1 | InChI=1S/C12H8FIO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H | 448891849 | |
| N-cyclohexyl-N-methyl-2-nitrobenzenesulfonamide | 298.36 | C13H18O4N2S1 | USBCPCFTYCPFDC | USBCPCFTYCPFDC-UHFFFAOYSA-N | CN(C1CCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] | InChI=1S/C13H18N2O4S/c1-14(11-7-3-2-4-8-11)20(18,19)13-10-6-5-9-12(13)15(16)17/h5-6,9-11H,2-4,7-8H2,1H3 | 183184550 | |
| N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide | 337.35 | C17H18O1N3F3 | UDKLBQULCJTEOC | UDKLBQULCJTEOC-UHFFFAOYSA-N | CN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 | InChI=1S/C17H18F3N3O/c1-22(2)16(24)11-7-9-12(10-8-11)23-14-6-4-3-5-13(14)15(21-23)17(18,19)20/h7-10H,3-6H2,1-2H3 | 239441147 | |
| 4-chloro-2-fluoro-1-(trifluoromethyl)benzene | 198.55 | C7H3Cl1F4 | VRVYSPQZUGVNKJ | VRVYSPQZUGVNKJ-UHFFFAOYSA-N | Fc1cc(Cl)ccc1C(F)(F)F | InChI=1S/C7H3ClF4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H | 448892334 | |
| 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide | 219.7 | C7H10O1N3Cl1S1 | CSNHGGCMBSRORE | CSNHGGCMBSRORE-UHFFFAOYSA-N | Cc1nnc(NC(=O)CCCCl)s1 | InChI=1S/C7H10ClN3OS/c1-5-10-11-7(13-5)9-6(12)3-2-4-8/h2-4H2,1H3,(H,9,11,12) | 188381878 | |
| 4-chloro-6-(trifluoromethyl)pyrimidine | 182.53 | C5H2N2Cl1F3 | TYSPDLZOMUDHQZ | TYSPDLZOMUDHQZ-UHFFFAOYSA-N | FC(F)(F)c1cc(Cl)ncn1 | InChI=1S/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H | 458441645 | |
| 3,3-dibromoacrylic acid | 229.85 | C3H2O2Br2 | VWWPGQPTCCQNIO | VWWPGQPTCCQNIO-UHFFFAOYSA-N | O=C(O)C=C(Br)Br | InChI=1S/C3H2Br2O2/c4-2(5)1-3(6)7/h1H,(H,6,7) | 465562140 | |
| 4-(5-bromo-1,3,4-thiadiazol-2-yl)morpholine | 250.12 | C6H8O1N3Br1S1 | KNPRIAYJCRBMHL | KNPRIAYJCRBMHL-UHFFFAOYSA-N | Brc1nnc(N2CCOCC2)s1 | InChI=1S/C6H8BrN3OS/c7-5-8-9-6(12-5)10-1-3-11-4-2-10/h1-4H2 | 358812808 | |
| (4-chlorophenyl)(3-fluorophenyl)methanol | 236.67 | C13H10O1Cl1F1 | YOKJZIUNZKHALC | YOKJZIUNZKHALC-UHFFFAOYSA-N | OC(c1ccc(Cl)cc1)c1cccc(F)c1 | InChI=1S/C13H10ClFO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13,16H | 360884628 | |
| 5-hydroxy-3-pyridiniumcarboxylate | 139.11 | C6H5O3N1 | ATTDCVLRGFEHEO | ATTDCVLRGFEHEO-UHFFFAOYSA-N | O=C([O-])c1c[nH+]cc(O)c1 | InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10) | 7013820 | |
| 5-bromo-2-(2H-tetrazol-5-yl)pyridine | 226.04 | C6H4N5Br1 | LBDJSOHAVRCQPD | LBDJSOHAVRCQPD-UHFFFAOYSA-N | Brc1ccc(-c2nn[nH]n2)nc1 | InChI=1S/C6H4BrN5/c7-4-1-2-5(8-3-4)6-9-11-12-10-6/h1-3H,(H,9,10,11,12) | 947209858 | |
| 2-(2-quinolinyl)ethanol | 173.22 | C11H11O1N1 | VPDAGUVEZGEHJJ | VPDAGUVEZGEHJJ-UHFFFAOYSA-N | OCCc1ccc2ccccc2n1 | InChI=1S/C11H11NO/c13-8-7-10-6-5-9-3-1-2-4-11(9)12-10/h1-6,13H,7-8H2 | 508625034 | |
| (2,3-difluorophenyl)methanesulfonyl chloride | 226.63 | C7H5O2Cl1S1F2 | IVOZQYVSUGBOER | IVOZQYVSUGBOER-UHFFFAOYSA-N | O=S(=O)(Cl)Cc1cccc(F)c1F | InChI=1S/C7H5ClF2O2S/c8-13(11,12)4-5-2-1-3-6(9)7(5)10/h1-3H,4H2 | 497377225 | |
| 1,2,3-thiadiazole-4-carbonyl chloride | 148.57 | C3H1O1N2Cl1S1 | HSDHDEOGCBGOKV | HSDHDEOGCBGOKV-UHFFFAOYSA-N | O=C(Cl)c1csnn1 | InChI=1S/C3HClN2OS/c4-3(7)2-1-8-6-5-2/h1H | 338513292 | |
| 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide | 325.99 | C8H10O2N2Br2 | UAVIBMSTKCBELE | UAVIBMSTKCBELE-UHFFFAOYSA-N | O=C(NCCCO)c1cc(Br)c(Br)[nH]1 | InChI=1S/C8H10Br2N2O2/c9-5-4-6(12-7(5)10)8(14)11-2-1-3-13/h4,12-13H,1-3H2,(H,11,14) | 343104819 | |
| 7-iodo-2,4(1H,3H)-quinazolinedione | 288.04 | C8H5O2N2I1 | USQDOSUQXJGECF | USQDOSUQXJGECF-UHFFFAOYSA-N | Oc1nc(O)c2ccc(I)cc2n1 | InChI=1S/C8H5IN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13) | 379295461 | |
| 5-(aminomethyl)-2-methoxyphenol | 153.18 | C8H11O2N1 | HJIDMVZCXORAIG | HJIDMVZCXORAIG-UHFFFAOYSA-N | COc1ccc(CN)cc1O | InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3 | 249318324 | |
| 4-[(4-chlorophenyl)sulfonyl]-3-methyl-2-thiophenecarbohydrazide | 330.82 | C12H11O3N2Cl1S2 | YGMCNGIOCYPFHM | YGMCNGIOCYPFHM-UHFFFAOYSA-N | Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NN | InChI=1S/C12H11ClN2O3S2/c1-7-10(6-19-11(7)12(16)15-14)20(17,18)9-4-2-8(13)3-5-9/h2-6H,14H2,1H3,(H,15,16) | 321773963 | |
| 2-bromo-1,3,4-thiadiazole | 165.01 | C2H1N2Br1S1 | DQBCRVIBTFHJLM | DQBCRVIBTFHJLM-UHFFFAOYSA-N | Brc1nncs1 | InChI=1S/C2HBrN2S/c3-2-5-4-1-6-2/h1H | 344724134 | |
| 4,6-dibromopyrimidine | 237.88 | C4H2N2Br2 | CEPVZSXIONCAJV | CEPVZSXIONCAJV-UHFFFAOYSA-N | Brc1cc(Br)ncn1 | InChI=1S/C4H2Br2N2/c5-3-1-4(6)8-2-7-3/h1-2H | 187103709 | |
| N-(4-methylphenyl)-10H-phenothiazine-10-carboxamide | 332.43 | C20H16O1N2S1 | AGRMZLFVKVZKOP | AGRMZLFVKVZKOP-UHFFFAOYSA-N | Cc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 | InChI=1S/C20H16N2OS/c1-14-10-12-15(13-11-14)21-20(23)22-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)22/h2-13H,1H3,(H,21,23) | 26492102 | |
| 4'-bromo[1,1'-biphenyl]-4-yl trifluoromethanesulfonate | 381.17 | C13H8O3Br1S1F3 | LUSPTKXNKWTUFC | LUSPTKXNKWTUFC-UHFFFAOYSA-N | O=S(=O)(Oc1ccc(-c2ccc(Br)cc2)cc1)C(F)(F)F | InChI=1S/C13H8BrF3O3S/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-21(18,19)13(15,16)17/h1-8H | 245492493 | |
| 2,2,2-trichloroethyl aminocarbonylsulfamate | 271.51 | C3H5O4N2Cl3S1 | QYUJBOJJEGIBCJ | QYUJBOJJEGIBCJ-UHFFFAOYSA-N | NC(=O)NS(=O)(=O)OCC(Cl)(Cl)Cl | InChI=1S/C3H5Cl3N2O4S/c4-3(5,6)1-12-13(10,11)8-2(7)9/h1H2,(H3,7,8,9) | 117280176 | |
| N~1~,N~1~-bis[2-(dimethylamino)ethyl]-N~2~,N~2~-dimethyl-1,2-ethanediamine | 230.4 | C12H30N4 | VMGSQCIDWAUGLQ | VMGSQCIDWAUGLQ-UHFFFAOYSA-N | CN(C)CCN(CCN(C)C)CCN(C)C | InChI=1S/C12H30N4/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h7-12H2,1-6H3 | 423892586 | |
| 4-methyl-3-nitrobenzamide | 180.16 | C8H8O3N2 | YEUGEQUFPMJGCD | YEUGEQUFPMJGCD-UHFFFAOYSA-N | Cc1ccc(C(N)=O)cc1[N+](=O)[O-] | InChI=1S/C8H8N2O3/c1-5-2-3-6(8(9)11)4-7(5)10(12)13/h2-4H,1H3,(H2,9,11) | 100617550 | |
| 5-(4-fluorophenyl)-5-methyl-2,4-imidazolidinedione | 208.19 | C10H9O2N2F1 | HJCCCQPVRYYYMJ | HJCCCQPVRYYYMJ-UHFFFAOYSA-N | CC1(c2ccc(F)cc2)NC(=O)NC1=O | InChI=1S/C10H9FN2O2/c1-10(8(14)12-9(15)13-10)6-2-4-7(11)5-3-6/h2-5H,1H3,(H2,12,13,14,15) | 66596056 | |
| 1-fluoro-3-(isothiocyanatomethyl)benzene | 167.21 | C8H6N1S1F1 | CCKNPKNHNFDGND | CCKNPKNHNFDGND-UHFFFAOYSA-N | Fc1cccc(CN=C=S)c1 | InChI=1S/C8H6FNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2 | 47022125 | |
| 2-bromo-5-isopropyl-1,3,4-thiadiazole | 207.1 | C5H7N2Br1S1 | ONBQFBOZPYFOOQ | ONBQFBOZPYFOOQ-UHFFFAOYSA-N | CC(C)c1nnc(Br)s1 | InChI=1S/C5H7BrN2S/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3 | 371177786 | |
| 1-(2-{4-[4-(trifluoromethyl)phenyl]-1-piperazinyl}ethyl)-1H-benzimidazol-2-ol | 390.41 | C20H21O1N4F3 | CCIZQGRSEAHATK | CCIZQGRSEAHATK-UHFFFAOYSA-N | Oc1nc2ccccc2n1CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 | InChI=1S/C20H21F3N4O/c21-20(22,23)15-5-7-16(8-6-15)26-12-9-25(10-13-26)11-14-27-18-4-2-1-3-17(18)24-19(27)28/h1-8H,9-14H2,(H,24,28) | 457506856 | |
| 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxylic acid | 274.13 | C10H5O2N1Cl2S1 | ANTJCNIMRNBFMJ | ANTJCNIMRNBFMJ-UHFFFAOYSA-N | O=C(O)c1csc(-c2cccc(Cl)c2Cl)n1 | InChI=1S/C10H5Cl2NO2S/c11-6-3-1-2-5(8(6)12)9-13-7(4-16-9)10(14)15/h1-4H,(H,14,15) | 321775465 | |
| 215.25 | C13H13O2N1 | AVLZAVSZOAQKRC | AVLZAVSZOAQKRC-UHFFFAOYSA-N | Cc1cc(=O)n(O)c(Cc2ccccc2)c1 | InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | 514623762 | ||
| 1-propyl-1H-imidazole | 110.16 | C6H10N2 | IYVYLVCVXXCYRI | IYVYLVCVXXCYRI-UHFFFAOYSA-N | CCCn1ccnc1 | InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3 | 371389135 | |
| amino(2-methylphenyl)acetic acid | 165.19 | C9H11O2N1 | FLYIRERUSAMCDQ | FLYIRERUSAMCDQ-UHFFFAOYSA-N | Cc1ccccc1C(N)C(=O)O | InChI=1S/C9H11NO2/c1-6-4-2-3-5-7(6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12) | 375142375 | |
| 1-(2-chlorobenzyl)-5-methyl-1H-pyrazol-3-ylamine | 221.69 | C11H12N3Cl1 | FEAJPHNZDGHPCP | FEAJPHNZDGHPCP-UHFFFAOYSA-N | Cc1cc(N)nn1Cc1ccccc1Cl | InChI=1S/C11H12ClN3/c1-8-6-11(13)14-15(8)7-9-4-2-3-5-10(9)12/h2-6H,7H2,1H3,(H2,13,14) | 444079546 | |
| 2-(benzoyloxy)propyl benzoate | 284.31 | C17H16O4 | UMVMVEZHMZTUHD | UMVMVEZHMZTUHD-UHFFFAOYSA-N | CC(COC(=O)c1ccccc1)OC(=O)c1ccccc1 | InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3 | 514506814 | |
| 4-methyl-1-phenyl-3-pentanone | 176.26 | C12H16O1 | QATHVLKLWVUSRC | QATHVLKLWVUSRC-UHFFFAOYSA-N | CC(C)C(=O)CCc1ccccc1 | InChI=1S/C12H16O/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 | 238711902 | |
| N-(2-amino-2-oxoethyl)-2-propylpentanamide | 200.28 | C10H20O2N2 | RALGCAOVRLYSMA | RALGCAOVRLYSMA-UHFFFAOYSA-N | CCCC(CCC)C(=O)NCC(N)=O | InChI=1S/C10H20N2O2/c1-3-5-8(6-4-2)10(14)12-7-9(11)13/h8H,3-7H2,1-2H3,(H2,11,13)(H,12,14) | 390347145 | |
| 5-bromo-3-chloro-1,2-benzisoxazole | 232.46 | C7H3O1N1Cl1Br1 | NJAYXZTVKFOBCT | NJAYXZTVKFOBCT-UHFFFAOYSA-N | Clc1noc2ccc(Br)cc12 | InChI=1S/C7H3BrClNO/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H | 455585995 | |
| N-(4-iodophenyl)-3-oxobutanamide | 303.1 | C10H10O2N1I1 | PHQKQZWGTMATIC | PHQKQZWGTMATIC-UHFFFAOYSA-N | CC(=O)CC(=O)Nc1ccc(I)cc1 | InChI=1S/C10H10INO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14) | 321765213 | |
| [1-(4-bromophenyl)cyclobutyl]methanamine | 240.14 | C11H14N1Br1 | VJQZVOUMGNRLJU | VJQZVOUMGNRLJU-UHFFFAOYSA-N | NCC1(c2ccc(Br)cc2)CCC1 | InChI=1S/C11H14BrN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-8,13H2 | 465541732 | |
| 3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine hydrochloride | 169.61 | C7H9N3Cl2 | RXBBFWAJORBXOQ | RXBBFWAJORBXOQ-UHFFFAOYSA-N | Clc1cc2c(nn1)CNCC2 | InChI=1S/C7H8ClN3/c8-7-3-5-1-2-9-4-6(5)10-11-7/h3,9H,1-2,4H2 | 497374086 | |
| 3-bromo-2-methoxy-5-(trifluoromethyl)pyridine | 256.02 | C7H5O1N1Br1F3 | YUDYUCKEWCVXTE | YUDYUCKEWCVXTE-UHFFFAOYSA-N | COc1ncc(C(F)(F)F)cc1Br | InChI=1S/C7H5BrF3NO/c1-13-6-5(8)2-4(3-12-6)7(9,10)11/h2-3H,1H3 | 245493881 | |
| 3,5-difluoro-4'-nitro-1,1'-biphenyl | 235.19 | C12H7O2N1F2 | FQUXUZXTMUTJEE | FQUXUZXTMUTJEE-UHFFFAOYSA-N | O=[N+]([O-])c1ccc(-c2cc(F)cc(F)c2)cc1 | InChI=1S/C12H7F2NO2/c13-10-5-9(6-11(14)7-10)8-1-3-12(4-2-8)15(16)17/h1-7H | 341028133 | |
| 4'-fluoro-3'-(trifluoromethyl)[1,1'-biphenyl]-4-ol | 256.2 | C13H8O1F4 | OLRXREQKAUMTOY | OLRXREQKAUMTOY-UHFFFAOYSA-N | Oc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1 | InChI=1S/C13H8F4O/c14-12-6-3-9(7-11(12)13(15,16)17)8-1-4-10(18)5-2-8/h1-7,18H | 329159751 | |
| trifluoro(phenyl)silane | 162.19 | C6H5F3Si1 | KGWNTHHPMKEAIK | KGWNTHHPMKEAIK-UHFFFAOYSA-N | F[Si](F)(F)c1ccccc1 | InChI=1S/C6H5F3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H | 1069442291 | |
| 2-bromo-5-chloro-1,3-thiazole-4-carboxylic acid | 242.48 | C4H1O2N1Cl1Br1S1 | YPVLHDUANVJQBW | YPVLHDUANVJQBW-UHFFFAOYSA-N | O=C(O)c1nc(Br)sc1Cl | InChI=1S/C4HBrClNO2S/c5-4-7-1(3(8)9)2(6)10-4/h(H,8,9) | 458434777 | |
| 3-methoxy-4-(1,3-oxazol-5-yl)phenylamine | 190.2 | C10H10O2N2 | KYCMMXMEXWSPCV | KYCMMXMEXWSPCV-UHFFFAOYSA-N | COc1cc(N)ccc1-c1cnco1 | InChI=1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3 | 402209115 | |
| (5Z)-3-ethyl-5-[(2Z)-2-(3-ethyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]-2-thioxo-1,3-thiazolidin-4-one | 332.45 | C16H16O2N2S2 | YAORVROFPFPJJU | YAORVROFPFPJJU-FOIMCPNXSA-N | CCN1C(=O)C(=CC=C2Oc3ccccc3N2CC)SC1=S | InChI=1S/C16H16N2O2S2/c1-3-17-11-7-5-6-8-12(11)20-14(17)10-9-13-15(19)18(4-2)16(21)22-13/h5-10H,3-4H2,1-2H3/b13-9-,14-10- | 183193543 | |
| 6-bromo-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile | 222.05 | C8H4N3Br1 | JEYQHZPJMRWDGZ | JEYQHZPJMRWDGZ-UHFFFAOYSA-N | N#Cc1c[nH]c2cc(Br)cnc12 | InChI=1S/C8H4BrN3/c9-6-1-7-8(12-4-6)5(2-10)3-11-7/h1,3-4,11H | 414330760 | |
| 4-chloro-6-fluoronicotinaldehyde | 159.55 | C6H3O1N1Cl1F1 | XMZOOEPMKPIEIQ | XMZOOEPMKPIEIQ-UHFFFAOYSA-N | O=Cc1cnc(F)cc1Cl | InChI=1S/C6H3ClFNO/c7-5-1-6(8)9-2-4(5)3-10/h1-3H | 402212837 | |
| 2-bromo-5-chloro-3-pyridinylamine | 207.46 | C5H4N2Cl1Br1 | AZOXQBMBDRLSCQ | AZOXQBMBDRLSCQ-UHFFFAOYSA-N | Nc1cc(Cl)cnc1Br | InChI=1S/C5H4BrClN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2 | 344724559 | |
| (3E)-3-(aminomethylene)dihydro-2H-pyran-2,4(3H)-dione | 141.13 | C6H7O3N1 | JCVFDMOXFXJTSJ | JCVFDMOXFXJTSJ-ONEGZZNKSA-N | NC=C1C(=O)CCOC1=O | InChI=1S/C6H7NO3/c7-3-4-5(8)1-2-10-6(4)9/h3H,1-2,7H2/b4-3+ | 465237655 | |
| 2,3,5,6-tetrachloro-4-iodopyridine | 342.78 | C5N1Cl4I1 | BTABLTRRNRROBK | BTABLTRRNRROBK-UHFFFAOYSA-N | Clc1nc(Cl)c(Cl)c(I)c1Cl | InChI=1S/C5Cl4IN/c6-1-3(10)2(7)5(9)11-4(1)8 | 196085588 | |
| 1-pentanesulfonamide | 151.23 | C5H13O2N1S1 | ICFQGMYPBURXAZ | ICFQGMYPBURXAZ-UHFFFAOYSA-N | CCCCCS(N)(=O)=O | InChI=1S/C5H13NO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H2,6,7,8) | 321763295 | |
| 5-bromo-4-fluoro-2-methylaniline | 204.04 | C7H7N1Br1F1 | DNCLVDGUXUSPTL | DNCLVDGUXUSPTL-UHFFFAOYSA-N | Cc1cc(F)c(Br)cc1N | InChI=1S/C7H7BrFN/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,10H2,1H3 | 386051145 | |
| 5-(4-fluorophenyl)-2-furoyl chloride | 224.62 | C11H6O2Cl1F1 | LAICLIOPDMJLFC | LAICLIOPDMJLFC-UHFFFAOYSA-N | O=C(Cl)c1ccc(-c2ccc(F)cc2)o1 | InChI=1S/C11H6ClFO2/c12-11(14)10-6-5-9(15-10)7-1-3-8(13)4-2-7/h1-6H | 26565905 | |
| 3-[4-(4-hydroxy-2-quinazolinyl)phenyl]-1,3-oxazolidin-2-one | 307.31 | C17H13O3N3 | PIZDAXYCXABQQI | PIZDAXYCXABQQI-UHFFFAOYSA-N | O=C1OCCN1c1ccc(-c2nc(O)c3ccccc3n2)cc1 | InChI=1S/C17H13N3O3/c21-16-13-3-1-2-4-14(13)18-15(19-16)11-5-7-12(8-6-11)20-9-10-23-17(20)22/h1-8H,9-10H2,(H,18,19,21) | 344398529 | |
| N,N'-didecylthiourea | 356.66 | C21H44N2S1 | KVPJJDWEFYTGMD | KVPJJDWEFYTGMD-UHFFFAOYSA-N | CCCCCCCCCCNC(=S)NCCCCCCCCCC | InChI=1S/C21H44N2S/c1-3-5-7-9-11-13-15-17-19-22-21(24)23-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H2,22,23,24) | 344667133 | |
| 3-bromo-N-ethyl-5-methylbenzenesulfonamide | 278.17 | C9H12O2N1Br1S1 | DMARLJQSKFGCTP | DMARLJQSKFGCTP-UHFFFAOYSA-N | CCNS(=O)(=O)c1cc(C)cc(Br)c1 | InChI=1S/C9H12BrNO2S/c1-3-11-14(12,13)9-5-7(2)4-8(10)6-9/h4-6,11H,3H2,1-2H3 | 245491267 | |
| ethyl 8-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate | 384.1 | C11H8O2N2F3I1 | DCYJMANQARCUIZ | DCYJMANQARCUIZ-UHFFFAOYSA-N | CCOC(=O)c1cn2cc(C(F)(F)F)cc(I)c2n1 | InChI=1S/C11H8F3IN2O2/c1-2-19-10(18)8-5-17-4-6(11(12,13)14)3-7(15)9(17)16-8/h3-5H,2H2,1H3 | 343106137 | |
| 2-(bromomethyl)-3-fluorobenzonitrile | 214.04 | C8H5N1Br1F1 | QCKKUQZIPJBLQF | QCKKUQZIPJBLQF-UHFFFAOYSA-N | N#Cc1cccc(F)c1CBr | InChI=1S/C8H5BrFN/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2 | 386047742 | |
| 3-bromo-1-(phenylsulfonyl)-1H-indole | 336.21 | C14H10O2N1Br1S1 | MXPFKHHDXIJNDX | MXPFKHHDXIJNDX-UHFFFAOYSA-N | O=S(=O)(c1ccccc1)n1cc(Br)c2ccccc21 | InChI=1S/C14H10BrNO2S/c15-13-10-16(14-9-5-4-8-12(13)14)19(17,18)11-6-2-1-3-7-11/h1-10H | 371597424 | |
| [4-(4-{4-[amino(imino)methyl]phenyl}-1-piperazinyl)-1-piperidinyl]acetic acid trihydrochloride | 345.45 | C18H30O2N5Cl3 | QGEGSJUSWLLZLH | QGEGSJUSWLLZLH-UHFFFAOYSA-N | N=C(N)c1ccc(N2CCN(C3CCN(CC(=O)O)CC3)CC2)cc1 | InChI=1S/C18H27N5O2/c19-18(20)14-1-3-15(4-2-14)22-9-11-23(12-10-22)16-5-7-21(8-6-16)13-17(24)25/h1-4,16H,5-13H2,(H3,19,20)(H,24,25) | 53245734 | |
| 6-amino-7H-purine-2,8-diol | 167.13 | C5H5O2N5 | XFBOJHLYDJZYSP | XFBOJHLYDJZYSP-UHFFFAOYSA-N | Nc1nc(O)nc2nc(O)[nH]c21 | InChI=1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12) | 497678402 | |
| 2-(methylamino)acetohydrazide | 103.13 | C3H9O1N3 | LYGILYHNZNBRQP | LYGILYHNZNBRQP-UHFFFAOYSA-N | CNCC(=O)NN | InChI=1S/C3H9N3O/c1-5-2-3(7)6-4/h5H,2,4H2,1H3,(H,6,7) | 447956219 | |
| 4,5-dideoxy-3-C-methylpentonic acid | 148.16 | C6H12O4 | PDGXJDXVGMHUIR | PDGXJDXVGMHUIR-UHFFFAOYSA-N | CCC(C)(O)C(O)C(=O)O | InChI=1S/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9) | 1059073712 | |
| (3S,5R,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethylhexadecahydro-14H-cyclopenta[a]phenanthrene-3,14,17-triol | 374.52 | C23H34O4 | AEAPORIZZWBIEX | AEAPORIZZWBIEX-DTBDINHYSA-N | [H]C1(O)CCC2(C)C([H])(CCC3([H])C4(O)CCC(O)(c5ccoc5)C4(C)CCC32[H])C1 | InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1 | 457507695 | |
| 2-[3-(2H-1,2,3-benzotriazol-2-yl)-4-hydroxyphenyl]ethyl 2-methylacrylate | 323.35 | C18H17O3N3 | VCYCUECVHJJFIQ | VCYCUECVHJJFIQ-UHFFFAOYSA-N | C=C(C)C(=O)OCCc1ccc(O)c(-n2nc3ccccc3n2)c1 | InChI=1S/C18H17N3O3/c1-12(2)18(23)24-10-9-13-7-8-17(22)16(11-13)21-19-14-5-3-4-6-15(14)20-21/h3-8,11,22H,1,9-10H2,2H3 | 182433153 | |
| 2-((2-((3-hydroxyphenyl)amino)pyrimidin-4-yl)amino)benzamide | 321.34 | C17H15O2N5 | QHPKKGUGRGRSGA | QHPKKGUGRGRSGA-UHFFFAOYSA-N | NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 | InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22) | 545856242 | |
| 3,5-dichloro-1H-indazole | 187.03 | C7H4N2Cl2 | QQZISIWJMCCCNH | QQZISIWJMCCCNH-UHFFFAOYSA-N | Clc1n[nH]c2ccc(Cl)cc12 | InChI=1S/C7H4Cl2N2/c8-4-1-2-6-5(3-4)7(9)11-10-6/h1-3H,(H,10,11) | 369260261 | |
| 3-bromothieno[3,2-c]pyridin-4-ol | 230.09 | C7H4O1N1Br1S1 | AMWQWPCIUPRUFH | AMWQWPCIUPRUFH-UHFFFAOYSA-N | Oc1nccc2scc(Br)c21 | InChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3H,(H,9,10) | 414330673 | |
| 3-bromo-6,9-diphenyl-9H-carbazole | 398.3 | C24H16N1Br1 | JBEQRROTSDUCGC | JBEQRROTSDUCGC-UHFFFAOYSA-N | Brc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1 | InChI=1S/C24H16BrN/c25-19-12-14-24-22(16-19)21-15-18(17-7-3-1-4-8-17)11-13-23(21)26(24)20-9-5-2-6-10-20/h1-16H | 379292449 | |
| (3-chloro-2,6-difluorophenyl)methanol | 178.56 | C7H5O1Cl1F2 | KLHRZAAZABAKME | KLHRZAAZABAKME-UHFFFAOYSA-N | OCc1c(F)ccc(Cl)c1F | InChI=1S/C7H5ClF2O/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2,11H,3H2 | 47029039 | |
| 2,6-dichloro-9-tetrahydro-2H-pyran-2-yl-9H-purine | 273.12 | C10H10O1N4Cl2 | ASNBMEFTEPQHDX | ASNBMEFTEPQHDX-UHFFFAOYSA-N | Clc1nc2c(ncn2C2CCCCO2)c(Cl)n1 | InChI=1S/C10H10Cl2N4O/c11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-17-6/h5-6H,1-4H2 | 1064767916 | |
| 2,4-dimethylpentanoic acid | 130.19 | C7H14O2 | XMKDPSQQDXTCCK | XMKDPSQQDXTCCK-UHFFFAOYSA-N | CC(C)CC(C)C(=O)O | InChI=1S/C7H14O2/c1-5(2)4-6(3)7(8)9/h5-6H,4H2,1-3H3,(H,8,9) | 410542532 | |
| 5''-bromo-[2,2':5',2''-terthiophene]-5-carbaldehyde | 355.3 | C13H7O1Br1S3 | DSYKMLTVEGWLFR | DSYKMLTVEGWLFR-UHFFFAOYSA-N | O=Cc1ccc(-c2ccc(-c3ccc(Br)s3)s2)s1 | InChI=1S/C13H7BrOS3/c14-13-6-5-12(18-13)11-4-3-10(17-11)9-2-1-8(7-15)16-9/h1-7H | 411784538 | |
| di-tert-butyl phthalate | 278.35 | C16H22O4 | RYCNBIYTZSGSPI | RYCNBIYTZSGSPI-UHFFFAOYSA-N | CC(C)(C)OC(=O)c1ccccc1C(=O)OC(C)(C)C | InChI=1S/C16H22O4/c1-15(2,3)19-13(17)11-9-7-8-10-12(11)14(18)20-16(4,5)6/h7-10H,1-6H3 | 1063803937 | |
| 2-bromo-4-iodo-1-methoxybenzene | 312.93 | C7H6O1Br1I1 | YIQMMXVWWSWNGR | YIQMMXVWWSWNGR-UHFFFAOYSA-N | COc1ccc(I)cc1Br | InChI=1S/C7H6BrIO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3 | 947339095 | |
| 3'-(benzyloxy)-3-chloro[1,1'-biphenyl]-4-carbonitrile | 319.79 | C20H14O1N1Cl1 | OMSIWQJLJUKVBO | OMSIWQJLJUKVBO-UHFFFAOYSA-N | N#Cc1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl | InChI=1S/C20H14ClNO/c21-20-12-17(9-10-18(20)13-22)16-7-4-8-19(11-16)23-14-15-5-2-1-3-6-15/h1-12H,14H2 | 360883519 | |
| 4-benzyl-1-(4-chlorobenzoyl)piperidine | 313.83 | C19H20O1N1Cl1 | WJTLJFMQFABDJA | WJTLJFMQFABDJA-UHFFFAOYSA-N | O=C(c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 | InChI=1S/C19H20ClNO/c20-18-8-6-17(7-9-18)19(22)21-12-10-16(11-13-21)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2 | 12799988 | |
| 1-bromo-3-(propylsulfonyl)benzene | 263.16 | C9H11O2Br1S1 | JSWLMTKGJQIASC | JSWLMTKGJQIASC-UHFFFAOYSA-N | CCCS(=O)(=O)c1cccc(Br)c1 | InChI=1S/C9H11BrO2S/c1-2-6-13(11,12)9-5-3-4-8(10)7-9/h3-5,7H,2,6H2,1H3 | 360884245 | |
| (6S,10aR,10bS)-8,9,10,10a-tetrahydro-6,10b-methanofuro[2,3-c]pyrrolo[1,2-a]azepin-2(6H)-one | 203.24 | C12H13O2N1 | NBGOALXYAZVRPS | NBGOALXYAZVRPS-FOGDFJRCSA-N | [H]C12C=CC3=CC(=O)OC3(C1)C1([H])CCCN21 | InChI=1S/C12H13NO2/c14-11-6-8-3-4-9-7-12(8,15-11)10-2-1-5-13(9)10/h3-4,6,9-10H,1-2,5,7H2/t9-,10-,12+/m1/s1 | 424065698 | |
| 3-(3-pyridinyl)-2-propyn-1-amine | 132.17 | C8H8N2 | BGKUWZFWNZFRMO | BGKUWZFWNZFRMO-UHFFFAOYSA-N | NCC#Cc1cccnc1 | InChI=1S/C8H8N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,5,9H2 | 360887677 | |
| 5-bromo-2-ethoxybenzenesulfonyl chloride | 299.57 | C8H8O3Cl1Br1S1 | QVECNSRYIWTUJL | QVECNSRYIWTUJL-UHFFFAOYSA-N | CCOc1ccc(Br)cc1S(=O)(=O)Cl | InChI=1S/C8H8BrClO3S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2H2,1H3 | 18105570 | |
| 7-chloro-4-oxo-4H-chromene-2-carboxylic acid | 224.6 | C10H5O4Cl1 | QTAXIAZVGOANTN | QTAXIAZVGOANTN-UHFFFAOYSA-N | O=C(O)c1cc(=O)c2ccc(Cl)cc2o1 | InChI=1S/C10H5ClO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4H,(H,13,14) | 580342534 | |
| 4-[(5-bromo-2-pyrimidinyl)sulfanyl]aniline | 282.17 | C10H8N3Br1S1 | RXDXNLRTAYPJFH | RXDXNLRTAYPJFH-UHFFFAOYSA-N | Nc1ccc(Sc2ncc(Br)cn2)cc1 | InChI=1S/C10H8BrN3S/c11-7-5-13-10(14-6-7)15-9-3-1-8(12)2-4-9/h1-6H,12H2 | 411780653 | |
| 2,5-dimethoxy-2-methyl-2,5-dihydrofuran | 144.17 | C7H12O3 | ODARVONGEVVSAG | ODARVONGEVVSAG-UHFFFAOYSA-N | COC1C=CC(C)(OC)O1 | InChI=1S/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3 | 321775173 | |
| 1-(2-bromobenzoyl)-4-methylpiperazine | 283.17 | C12H15O1N2Br1 | TUFUJLBGPHVUEW | TUFUJLBGPHVUEW-UHFFFAOYSA-N | CN1CCN(C(=O)c2ccccc2Br)CC1 | InChI=1S/C12H15BrN2O/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3 | 183161367 | |
| 2-hydroxy-N-(3-phenylpropyl)benzamide | 255.32 | C16H17O2N1 | NCGDIICSZWHCQX | NCGDIICSZWHCQX-UHFFFAOYSA-N | O=C(NCCCc1ccccc1)c1ccccc1O | InChI=1S/C16H17NO2/c18-15-11-5-4-10-14(15)16(19)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,18H,6,9,12H2,(H,17,19) | 343328575 | |
| 2-chloro-N-(2-furylmethyl)acetamide | 173.6 | C7H8O2N1Cl1 | DRDCOQBVIBGWCZ | DRDCOQBVIBGWCZ-UHFFFAOYSA-N | O=C(CCl)NCc1ccco1 | InChI=1S/C7H8ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10) | 187724109 | |
| 4-isocyanato-1-(trifluoroacetyl)piperidine | 222.17 | C8H9O2N2F3 | ORDNMLVALJVJIZ | ORDNMLVALJVJIZ-UHFFFAOYSA-N | O=C=NC1CCN(C(=O)C(F)(F)F)CC1 | InChI=1S/C8H9F3N2O2/c9-8(10,11)7(15)13-3-1-6(2-4-13)12-5-14/h6H,1-4H2 | 411780650 | |
| 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid | 349.78 | C19H12O2N3Cl1 | MUOKSQABCJCOPU | MUOKSQABCJCOPU-UHFFFAOYSA-N | O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 | InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | 457507386 | |
| 5-isothiazolecarbaldehyde | 113.14 | C4H3O1N1S1 | TVFJIXAFZXREJQ | TVFJIXAFZXREJQ-UHFFFAOYSA-N | O=Cc1ccns1 | InChI=1S/C4H3NOS/c6-3-4-1-2-5-7-4/h1-3H | 508625183 | |
| (2,5-dioxotetrahydro-3-furanyl)acetic acid | 158.11 | C6H6O5 | LYANEXCVXFZQFF | LYANEXCVXFZQFF-UHFFFAOYSA-N | O=C(O)CC1CC(=O)OC1=O | InChI=1S/C6H6O5/c7-4(8)1-3-2-5(9)11-6(3)10/h3H,1-2H2,(H,7,8) | 249319104 | |
| 3-methyl-1-(4-methylphenyl)-2-butanone | 176.26 | C12H16O1 | RUTLCLHEAOPMKT | RUTLCLHEAOPMKT-UHFFFAOYSA-N | Cc1ccc(CC(=O)C(C)C)cc1 | InChI=1S/C12H16O/c1-9(2)12(13)8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 | 336956529 | |
| 1-fluoro-2-isocyanato-3-(trifluoromethyl)benzene | 205.11 | C8H3O1N1F4 | BZWCKYVPHPOLDL | BZWCKYVPHPOLDL-UHFFFAOYSA-N | O=C=Nc1c(F)cccc1C(F)(F)F | InChI=1S/C8H3F4NO/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14/h1-3H | 490047145 | |
| 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone | 192.11 | C8H4O1F4 | LUKLMXJAEKXROG | LUKLMXJAEKXROG-UHFFFAOYSA-N | O=C(c1ccc(F)cc1)C(F)(F)F | InChI=1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H | 329155030 | |
| 3-benzyl-6-bromo-2-chloroquinoline | 332.63 | C16H11N1Cl1Br1 | UGXUDVNBDYIJHJ | UGXUDVNBDYIJHJ-UHFFFAOYSA-N | Clc1nc2ccc(Br)cc2cc1Cc1ccccc1 | InChI=1S/C16H11BrClN/c17-14-6-7-15-12(10-14)9-13(16(18)19-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2 | 379295850 | |
| (2S)-2-(dimethylamino)propanoic acid hydrochloride | 117.15 | C5H12O2N1Cl1 | QCYOIFVBYZNUNW | QCYOIFVBYZNUNW-BYPYZUCNSA-N | [H]C(C)(C(=O)O)N(C)C | InChI=1S/C5H11NO2/c1-4(5(7)8)6(2)3/h4H,1-3H3,(H,7,8)/t4-/m0/s1 | 369381795 | |
| N,N'-bis(4-butylphenyl)thiourea | 340.54 | C21H28N2S1 | YWLKYPUCVSNTPX | YWLKYPUCVSNTPX-UHFFFAOYSA-N | CCCCc1ccc(NC(=S)Nc2ccc(CCCC)cc2)cc1 | InChI=1S/C21H28N2S/c1-3-5-7-17-9-13-19(14-10-17)22-21(24)23-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H2,22,23,24) | 12870468 | |
| 4-fluoro-2-pyridinol | 113.09 | C5H4O1N1F1 | XSRUCRGHYLPMHK | XSRUCRGHYLPMHK-UHFFFAOYSA-N | Oc1cc(F)ccn1 | InChI=1S/C5H4FNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8) | 344724567 | |
| 4-methoxy-1H-pyrrolo[2,3-b]pyridine | 148.16 | C8H8O1N2 | DNIKOOPKCLWWPO | DNIKOOPKCLWWPO-UHFFFAOYSA-N | COc1ccnc2[nH]ccc21 | InChI=1S/C8H8N2O/c1-11-7-3-5-10-8-6(7)2-4-9-8/h2-5H,1H3,(H,9,10) | 267019734 | |
| 4-bromo-2-furamide | 190 | C5H4O2N1Br1 | UDNSRLLRTQICFU | UDNSRLLRTQICFU-UHFFFAOYSA-N | NC(=O)c1cc(Br)co1 | InChI=1S/C5H4BrNO2/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H2,7,8) | 402212216 | |
| 1-(bromomethyl)-3-chloro-2-fluoro-5-(trifluoromethyl)benzene | 291.47 | C8H4Cl1Br1F4 | SPNVJHWULHTZHG | SPNVJHWULHTZHG-UHFFFAOYSA-N | Fc1c(Cl)cc(C(F)(F)F)cc1CBr | InChI=1S/C8H4BrClF4/c9-3-4-1-5(8(12,13)14)2-6(10)7(4)11/h1-2H,3H2 | 918050650 | |
| 2-chloro-4,6-difluoroaniline | 163.55 | C6H4N1Cl1F2 | DUPRZIYJXCCXQZ | DUPRZIYJXCCXQZ-UHFFFAOYSA-N | Nc1c(F)cc(F)cc1Cl | InChI=1S/C6H4ClF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2 | 344725651 | |
| 2-bromo-6,7-dihydro-4H-pyrano[4,3-d]thiazole | 220.09 | C6H6O1N1Br1S1 | WRFXNDSVRFCYJZ | WRFXNDSVRFCYJZ-UHFFFAOYSA-N | Brc1nc2c(s1)COCC2 | InChI=1S/C6H6BrNOS/c7-6-8-4-1-2-9-3-5(4)10-6/h1-3H2 | 1059074688 | |
| 4-amino-2,3-difluoro-5-nitrobenzoic acid | 218.11 | C7H4O4N2F2 | WXXHOWQPFHXRDY | WXXHOWQPFHXRDY-UHFFFAOYSA-N | Nc1c(F)c(F)c(C(=O)O)cc1[N+](=O)[O-] | InChI=1S/C7H4F2N2O4/c8-4-2(7(12)13)1-3(11(14)15)6(10)5(4)9/h1H,10H2,(H,12,13) | 379294484 | |
| 6-bromo-5-methoxy-1H-indazole | 227.06 | C8H7O1N2Br1 | USRTZJDWQCNIEN | USRTZJDWQCNIEN-UHFFFAOYSA-N | COc1cc2cn[nH]c2cc1Br | InChI=1S/C8H7BrN2O/c1-12-8-2-5-4-10-11-7(5)3-6(8)9/h2-4H,1H3,(H,10,11) | 386051191 | |
| 5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid | 145.11 | C5H7O4N1 | KYNKAUUXUQOZSQ | KYNKAUUXUQOZSQ-UHFFFAOYSA-N | CC1OC(=O)NC1C(=O)O | InChI=1S/C5H7NO4/c1-2-3(4(7)8)6-5(9)10-2/h2-3H,1H3,(H,6,9)(H,7,8) | 423210119 | |
| (Z)-oct-5-en-1-yl acetate | 170.25 | C10H18O2 | NBYQSRDPBAVRDT | NBYQSRDPBAVRDT-PLNGDYQASA-N | CCC=CCCCCOC(C)=O | InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h4-5H,3,6-9H2,1-2H3/b5-4- | 432542782 | |
| 3-(4-methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one | 288.31 | C18H12O2N2 | HXQRIHGYIOARQJ | HXQRIHGYIOARQJ-UHFFFAOYSA-N | COc1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1 | InChI=1S/C18H12N2O2/c1-22-12-8-6-11(7-9-12)16-10-15-17(20-19-16)13-4-2-3-5-14(13)18(15)21/h2-10H,1H3 | 1124470 | |
| 6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine | 291.12 | C13H8N2Br1F1 | NKIQEILZYPFNFA | NKIQEILZYPFNFA-UHFFFAOYSA-N | Fc1ccc(-c2cn3cc(Br)ccc3n2)cc1 | InChI=1S/C13H8BrFN2/c14-10-3-6-13-16-12(8-17(13)7-10)9-1-4-11(15)5-2-9/h1-8H | 88352018 | |
| 4-{methyl[(4-methylphenyl)sulfonyl]amino}benzoic acid | 305.36 | C15H15O4N1S1 | WPQPCXKPUOSINE | WPQPCXKPUOSINE-UHFFFAOYSA-N | Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)cc1 | InChI=1S/C15H15NO4S/c1-11-3-9-14(10-4-11)21(19,20)16(2)13-7-5-12(6-8-13)15(17)18/h3-10H,1-2H3,(H,17,18) | 372162867 | |
| 2-bromo-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one | 232.1 | C7H6O1N1Br1S1 | WCHRPSHIMRQFRS | WCHRPSHIMRQFRS-UHFFFAOYSA-N | O=C1NCCc2cc(Br)sc21 | InChI=1S/C7H6BrNOS/c8-5-3-4-1-2-9-7(10)6(4)11-5/h3H,1-2H2,(H,9,10) | 414331852 | |
| 1-bromo-4-(tert-butylsulfanyl)benzene | 245.18 | C10H13Br1S1 | WHWRWEGAKBALHO | WHWRWEGAKBALHO-UHFFFAOYSA-N | CC(C)(C)Sc1ccc(Br)cc1 | InChI=1S/C10H13BrS/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3 | 343105187 | |
| 1-[4-nitro-2-(trifluoromethyl)phenyl]pyrrolidine | 260.21 | C11H11O2N2F3 | BAUOMGQLDRWYSR | BAUOMGQLDRWYSR-UHFFFAOYSA-N | O=[N+]([O-])c1ccc(N2CCCC2)c(C(F)(F)F)c1 | InChI=1S/C11H11F3N2O2/c12-11(13,14)9-7-8(16(17)18)3-4-10(9)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2 | 12870576 | |
| N-[1-(4-bromophenyl)cyclopropyl]methanesulfonamide | 290.18 | C10H12O2N1Br1S1 | VVZIDWYAQQBIAN | VVZIDWYAQQBIAN-UHFFFAOYSA-N | CS(=O)(=O)NC1(c2ccc(Br)cc2)CC1 | InChI=1S/C10H12BrNO2S/c1-15(13,14)12-10(6-7-10)8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3 | 369105461 | |
| 2,4-dimethyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine | 204.27 | C13H16O2 | SHWFPOIJJLMZKA | SHWFPOIJJLMZKA-UHFFFAOYSA-N | CC1OC2c3ccccc3CC2C(C)O1 | InChI=1S/C13H16O2/c1-8-12-7-10-5-3-4-6-11(10)13(12)15-9(2)14-8/h3-6,8-9,12-13H,7H2,1-2H3 | 408173419 | |
| 4-bromo-1-(3-methylbenzoyl)-1H-pyrazole | 265.11 | C11H9O1N2Br1 | WACJMZOPBBWBAJ | WACJMZOPBBWBAJ-UHFFFAOYSA-N | Cc1cccc(C(=O)n2cc(Br)cn2)c1 | InChI=1S/C11H9BrN2O/c1-8-3-2-4-9(5-8)11(15)14-7-10(12)6-13-14/h2-7H,1H3 | 249292280 | |
| 4-chloro-3,5-difluorophenol | 164.54 | C6H3O1Cl1F2 | OEBQPSQPCDHCKT | OEBQPSQPCDHCKT-UHFFFAOYSA-N | Oc1cc(F)c(Cl)c(F)c1 | InChI=1S/C6H3ClF2O/c7-6-4(8)1-3(10)2-5(6)9/h1-2,10H | 371599361 | |
| 5-[3-(trifluoromethyl)phenyl]-2-pyridinylamine | 238.21 | C12H9N2F3 | HZNFABRHAXANIU | HZNFABRHAXANIU-UHFFFAOYSA-N | Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 | InChI=1S/C12H9F3N2/c13-12(14,15)10-3-1-2-8(6-10)9-4-5-11(16)17-7-9/h1-7H,(H2,16,17) | 375227681 | |
| 2-tert-butyl-7-hydrazino-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine | 273.26 | C11H14N5F3 | OWFFAVVLMMHFPK | OWFFAVVLMMHFPK-UHFFFAOYSA-N | CC(C)(C)c1cc2nc(C(F)(F)F)cc(NN)n2n1 | InChI=1S/C11H14F3N5/c1-10(2,3)6-4-8-16-7(11(12,13)14)5-9(17-15)19(8)18-6/h4-5,17H,15H2,1-3H3 | 321774117 | |
| 6-[(4-chlorophenyl)sulfonyl]-3-pyridazinol | 270.7 | C10H7O3N2Cl1S1 | MLRLSUWJTAHEKD | MLRLSUWJTAHEKD-UHFFFAOYSA-N | O=S(=O)(c1ccc(Cl)cc1)c1ccc(O)nn1 | InChI=1S/C10H7ClN2O3S/c11-7-1-3-8(4-2-7)17(15,16)10-6-5-9(14)12-13-10/h1-6H,(H,12,14) | 150126770 | |
| 2,4-dichloro-5-(iodomethyl)pyrimidine | 288.9 | C5H3N2Cl2I1 | NEIMQFSSWKAYTR | NEIMQFSSWKAYTR-UHFFFAOYSA-N | Clc1ncc(CI)c(Cl)n1 | InChI=1S/C5H3Cl2IN2/c6-4-3(1-8)2-9-5(7)10-4/h2H,1H2 | 947254980 | |
| ethyl 5-bromo-2-chloroisonicotinate | 264.51 | C8H7O2N1Cl1Br1 | YVGLNIDGZXOBSZ | YVGLNIDGZXOBSZ-UHFFFAOYSA-N | CCOC(=O)c1cc(Cl)ncc1Br | InChI=1S/C8H7BrClNO2/c1-2-13-8(12)5-3-7(10)11-4-6(5)9/h3-4H,2H2,1H3 | 329173017 | |
| 3-chloro-5-(trifluoromethyl)-2-pyridinecarbaldehyde | 209.55 | C7H3O1N1Cl1F3 | UANVTPLFKXDWHT | UANVTPLFKXDWHT-UHFFFAOYSA-N | O=Cc1ncc(C(F)(F)F)cc1Cl | InChI=1S/C7H3ClF3NO/c8-5-1-4(7(9,10)11)2-12-6(5)3-13/h1-3H | 117957579 | |
| (2,3-dichloro-6-fluorophenyl)acetic acid | 223.03 | C8H5O2Cl2F1 | SQADAIPGCGGTQM | SQADAIPGCGGTQM-UHFFFAOYSA-N | O=C(O)Cc1c(F)ccc(Cl)c1Cl | InChI=1S/C8H5Cl2FO2/c9-5-1-2-6(11)4(8(5)10)3-7(12)13/h1-2H,3H2,(H,12,13) | 424262432 | |
| benzyl 5-bromo-3-pyridinylcarbamate | 307.15 | C13H11O2N2Br1 | QHVXEKSVCNDLMZ | QHVXEKSVCNDLMZ-UHFFFAOYSA-N | O=C(Nc1cncc(Br)c1)OCc1ccccc1 | InChI=1S/C13H11BrN2O2/c14-11-6-12(8-15-7-11)16-13(17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17) | 245493973 | |
| 5-bromo-3-methyl-2-pyridinecarbonitrile | 197.03 | C7H5N2Br1 | YPCLLVYLWXIIBW | YPCLLVYLWXIIBW-UHFFFAOYSA-N | Cc1cc(Br)cnc1C#N | InChI=1S/C7H5BrN2/c1-5-2-6(8)4-10-7(5)3-9/h2,4H,1H3 | 369033084 | |
| 5-bromo-8-fluoroisoquinoline | 226.05 | C9H5N1Br1F1 | VRNWNPVURSCXKC | VRNWNPVURSCXKC-UHFFFAOYSA-N | Fc1ccc(Br)c2ccncc12 | InChI=1S/C9H5BrFN/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H | 386049435 | |
| 1-bromo-3-iodo-5-(trifluoromethoxy)benzene | 366.9 | C7H3O1Br1F3I1 | SJEYHNDEVIRTLB | SJEYHNDEVIRTLB-UHFFFAOYSA-N | FC(F)(F)Oc1cc(Br)cc(I)c1 | InChI=1S/C7H3BrF3IO/c8-4-1-5(12)3-6(2-4)13-7(9,10)11/h1-3H | 1058992412 | |
| phosphoric acid compound with N-(3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-[(4-pyridinylmethyl)amino]nicotinamide (2:1) | 373.46 | C22H29O9N5P2 | RAHBGWKEPAQNFF | RAHBGWKEPAQNFF-UHFFFAOYSA-N | CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21 | InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28) | 491598823 | |
| 5-chloro-1,2,3-thiadiazole-4-carboxamide | 163.59 | C3H2O1N3Cl1S1 | WGFUAJNREFNKPN | WGFUAJNREFNKPN-UHFFFAOYSA-N | NC(=O)c1nnsc1Cl | InChI=1S/C3H2ClN3OS/c4-2-1(3(5)8)6-7-9-2/h(H2,5,8) | 497552608 | |
| 8-bromoindolo[2,1-b]quinazoline-6,12-dione | 327.14 | C15H7O2N2Br1 | INPHXCCBDRGBRF | INPHXCCBDRGBRF-UHFFFAOYSA-N | O=C1c2cc(Br)ccc2-n2c1nc1ccccc1c2=O | InChI=1S/C15H7BrN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H | 68572797 | |
| 5-bromo-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid | 263.05 | C7H7O4N2Br1 | YLHNSMAGWZXPOQ | YLHNSMAGWZXPOQ-UHFFFAOYSA-N | Cn1c(=O)c(Br)c(C(=O)O)n(C)c1=O | InChI=1S/C7H7BrN2O4/c1-9-4(6(12)13)3(8)5(11)10(2)7(9)14/h1-2H3,(H,12,13) | 331009784 | |
| N-(3-bromopropyl)-N,N-dimethylamine hydrobromide | 166.06 | C5H13N1Br2 | BIWJXEPRNRDVPB | BIWJXEPRNRDVPB-UHFFFAOYSA-N | CN(C)CCCBr | InChI=1S/C5H12BrN/c1-7(2)5-3-4-6/h3-5H2,1-2H3 | 332673154 | |
| N'-(5-chloro-3-fluoro-2-pyridinyl)acetohydrazide | 203.6 | C7H7O1N3Cl1F1 | NNYOKSGJLISDRJ | NNYOKSGJLISDRJ-UHFFFAOYSA-N | CC(=O)NNc1ncc(Cl)cc1F | InChI=1S/C7H7ClFN3O/c1-4(13)11-12-7-6(9)2-5(8)3-10-7/h2-3H,1H3,(H,10,12)(H,11,13) | 245494034 | |
| 2-methyl-5-nitro-N-phenylbenzenesulfonamide | 292.32 | C13H12O4N2S1 | YBHDHKAUAAYLDS | YBHDHKAUAAYLDS-UHFFFAOYSA-N | Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1 | InChI=1S/C13H12N2O4S/c1-10-7-8-12(15(16)17)9-13(10)20(18,19)14-11-5-3-2-4-6-11/h2-9,14H,1H3 | 102162304 | |
| tert-butyl 3-fluoro-4-oxo-1-pyrrolidinecarboxylate | 203.21 | C9H14O3N1F1 | HPHVNLXMQXEDFX | HPHVNLXMQXEDFX-UHFFFAOYSA-N | CC(C)(C)OC(=O)N1CC(=O)C(F)C1 | InChI=1S/C9H14FNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6H,4-5H2,1-3H3 | 371381938 | |
| 4-bromo-N-cyclohexyl-5-ethoxy-2-nitroaniline | 343.22 | C14H19O3N2Br1 | IOPHYMPBKOVGFY | IOPHYMPBKOVGFY-UHFFFAOYSA-N | CCOc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Br | InChI=1S/C14H19BrN2O3/c1-2-20-14-9-12(13(17(18)19)8-11(14)15)16-10-6-4-3-5-7-10/h8-10,16H,2-7H2,1H3 | 360883350 | |
| 4-bromobenzenesulfonic acid hydrate | 237.07 | C6H7O4Br1S1 | PXACTUVBBMDKRW | PXACTUVBBMDKRW-UHFFFAOYSA-N | O=S(=O)(O)c1ccc(Br)cc1 | InChI=1S/C6H5BrO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10) | 517305525 | |
| ethyl 7-bromo-4-chloro-2-quinazolinecarboxylate | 315.55 | C11H8O2N2Cl1Br1 | WNPLYNAOTKPPLG | WNPLYNAOTKPPLG-UHFFFAOYSA-N | CCOC(=O)c1nc(Cl)c2ccc(Br)cc2n1 | InChI=1S/C11H8BrClN2O2/c1-2-17-11(16)10-14-8-5-6(12)3-4-7(8)9(13)15-10/h3-5H,2H2,1H3 | 238958211 | |
| 4-(1,3-thiazol-2-yl)-1-piperazinecarbothioamide | 228.35 | C8H12N4S2 | KJCDPAIWJCPEJF | KJCDPAIWJCPEJF-UHFFFAOYSA-N | NC(=S)N1CCN(c2nccs2)CC1 | InChI=1S/C8H12N4S2/c9-7(13)11-2-4-12(5-3-11)8-10-1-6-14-8/h1,6H,2-5H2,(H2,9,13) | 410499309 | |
| 2-[(E)-2-(2-quinoliniumyl)ethenyl]benzenolate | 247.3 | C17H13O1N1 | NXNDEWNGCMCWMA | NXNDEWNGCMCWMA-ZRDIBKRKSA-N | [O-]c1ccccc1C=Cc1ccc2ccccc2[nH+]1 | InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10+ | 308259166 | |
| 2,3-dibromo-5-(trifluoromethyl)pyridine | 304.89 | C6H2N1Br2F3 | BIDFUURRDIAINQ | BIDFUURRDIAINQ-UHFFFAOYSA-N | FC(F)(F)c1cnc(Br)c(Br)c1 | InChI=1S/C6H2Br2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H | 402201887 | |
| (1R,3R)-3-aminocyclohexan-1-ol hydrochloride | 115.18 | C6H14O1N1Cl1 | NIQIPYGXPZUDDP | NIQIPYGXPZUDDP-PHDIDXHHSA-N | [H]C1(N)CCCC([H])(O)C1 | InChI=1S/C6H13NO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4,7H2/t5-,6-/m1/s1 | 432441739 | |
| 5-fluoro-7-nitro-1H-indole-2,3-dione | 210.12 | C8H3O4N2F1 | WGBLCTOGPSHGGJ | WGBLCTOGPSHGGJ-UHFFFAOYSA-N | O=C1Nc2c(cc(F)cc2[N+](=O)[O-])C1=O | InChI=1S/C8H3FN2O4/c9-3-1-4-6(5(2-3)11(14)15)10-8(13)7(4)12/h1-2H,(H,10,12,13) | 181911410 | |
| 2,1,3-benzothiadiazole-5-carbonyl chloride | 198.63 | C7H3O1N2Cl1S1 | STVKFABXTFREFG | STVKFABXTFREFG-UHFFFAOYSA-N | O=C(Cl)c1ccc2nsnc2c1 | InChI=1S/C7H3ClN2OS/c8-7(11)4-1-2-5-6(3-4)10-12-9-5/h1-3H | 313857434 | |
| 5-phenyl-1,3,4-thiadiazole-2(3H)-thione | 194.28 | C8H6N2S2 | ZTLMHGOWADYAHM | ZTLMHGOWADYAHM-UHFFFAOYSA-N | Sc1nnc(-c2ccccc2)s1 | InChI=1S/C8H6N2S2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11) | 398937188 | |
| 4-cyclohexyl-3-methylphenol | 190.29 | C13H18O1 | XQZZRMOYMBRVNA | XQZZRMOYMBRVNA-UHFFFAOYSA-N | Cc1cc(O)ccc1C1CCCCC1 | InChI=1S/C13H18O/c1-10-9-12(14)7-8-13(10)11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 | 149982804 | |
| N-(2,6-dichloro-3-methylphenyl)acetamide | 218.08 | C9H9O1N1Cl2 | CJKDFKCEXKPCBM | CJKDFKCEXKPCBM-UHFFFAOYSA-N | CC(=O)Nc1c(Cl)ccc(C)c1Cl | InChI=1S/C9H9Cl2NO/c1-5-3-4-7(10)9(8(5)11)12-6(2)13/h3-4H,1-2H3,(H,12,13) | 12465278 | |
| 2-bromo-3-butylthiophene | 219.15 | C8H11Br1S1 | KNBLITSBUDZSJW | KNBLITSBUDZSJW-UHFFFAOYSA-N | CCCCc1ccsc1Br | InChI=1S/C8H11BrS/c1-2-3-4-7-5-6-10-8(7)9/h5-6H,2-4H2,1H3 | 371182072 | |
| 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]ethanol | 190.6 | C7H8O1N2Cl1F1 | VEFGPFBKFFVDEQ | VEFGPFBKFFVDEQ-UHFFFAOYSA-N | OCCNc1ncc(Cl)cc1F | InChI=1S/C7H8ClFN2O/c8-5-3-6(9)7(11-4-5)10-1-2-12/h3-4,12H,1-2H2,(H,10,11) | 329154604 | |
| 1,3-dichloro-2,5-difluorobenzene | 182.98 | C6H2Cl2F2 | XPBKEVCFKWTLHO | XPBKEVCFKWTLHO-UHFFFAOYSA-N | Fc1cc(Cl)c(F)c(Cl)c1 | InChI=1S/C6H2Cl2F2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H | 371180064 | |
| (R,Z)-5-((2-(3-aminopiperidin-1-yl)-[1,1'-biphenyl]-3-yl)methylene)thiazolidine-2,4-dione | 379.49 | C21H21O2N3S1 | MCUJKPPARUPFJM | MCUJKPPARUPFJM-UWCCDQBKSA-N | [H]C1(N)CCCN(c2c(C=C3SC(=O)NC3=O)cccc2-c2ccccc2)C1 | InChI=1S/C21H21N3O2S/c22-16-9-5-11-24(13-16)19-15(12-18-20(25)23-21(26)27-18)8-4-10-17(19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13,22H2,(H,23,25,26)/b18-12-/t16-/m1/s1 | 457507091 | |
| 8-cyclopentyl-1,3-dipropyl-3,9-dihydro-1H-purine-2,6-dione | 304.39 | C16H24O2N4 | FFBDFADSZUINTG | FFBDFADSZUINTG-UHFFFAOYSA-N | CCCn1c2[nH]c(C3CCCC3)nc2c(=O)n(CCC)c1=O | InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18) | 14418856 |
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