ChemicalBook
製品カタログ
分析化学
スタンダード
薬局方の規格や雑誌の規格
7-Chloro-1,3dihydro-5-fluorophenyl-2-nitro-methylene-2H-1,4-benzodiazepine-4-oxide
7-Chloro-1,3dihydro-5-fluorophenyl-2-nitro-methylene-2H-1,4-benzodiazepine-4-oxide
化学名:7-Chloro-1,3dihydro-5-fluorophenyl-2-nitro-methylene-2H-1,4-benzodiazepine-4-oxide
CAS番号.60656-76-0
英語名:7-Chloro-1,3dihydro-5-fluorophenyl-2-nitro-methylene-2H-1,4-benzodiazepine-4-oxide
CBNumberCB11230968
MFC16H11ClFN3O3
MW347.73
MOL File60656-76-0.mol
7-Chloro-1,3dihydro-5-fluorophenyl-2-nitro-methylene-2H-1,4-benzodiazepine-4-oxide物理性質
| 融点 | 240-243 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5)) |
| 沸点 | 539.7±60.0 °C(Predicted) |
| 比重(密度) | 1.49±0.1 g/cm3(Predicted) |
| 酸解離定数(Pka) | -1.18±0.20(Predicted) |
| InChI | InChI=1S/C16H11ClFN3O3/c17-10-5-6-15-13(7-10)16(12-3-1-2-4-14(12)18)20(22)8-11(19-15)9-21(23)24/h1-7,9,19H,8H2 |
| InChIKey | YFNLLWWUWXVJOM-UHFFFAOYSA-N |
| SMILES | N1C2=CC=C(Cl)C=C2C(C2=CC=CC=C2F)=[N+]([O-])CC1=C[N+]([O-])=O |