8-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
한글명:8-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
카스 번호59468-44-9
상품명:8-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
CBNumberCB6899170
분자식C19H13ClFN3O2
포뮬러 무게369.78
MOL 파일59468-44-9.mol
화학적 성질
끓는 점 | 590.7±60.0 °C(Predicted) |
밀도 | 1.47±0.1 g/cm3(Predicted) |
산도 계수 (pKa) | 6.11±0.40(Predicted) |
InChI | InChI=1S/C19H13ClFN3O2/c1-10-23-18(19(25)26)16-9-22-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)24(10)16/h2-8H,9H2,1H3,(H,25,26) |
InChIKey | WZNYKINYEPCGAZ-UHFFFAOYSA-N |
SMILES | N12C(C)=NC(C(O)=O)=C1CN=C(C1=CC=CC=C1F)C1=CC(Cl)=CC=C12 |