X0V
概要
| 表記: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE |
| 組成式: | C7 H7 F3 N2 |
| 電荷: | 0 |
| 化学式量: | 176.139 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 4-(trifluoromethyl)benzene-1,2-diamine |
| OpenEye OEToolkits | 1.6.1 | 4-(trifluoromethyl)benzene-1,2-diamine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | FC(F)(F)c1cc(N)c(N)cc1 |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1ccc(cc1N)C(F)(F)F |
| SMILES | CACTVS | 3.352 | Nc1ccc(cc1N)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1C(F)(F)F)N)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1C(F)(F)F)N)N |
| InChI | InChI | 1.03 | InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2 |
| InChIKey | InChI | 1.03 | RQWJHUJJBYMJMN-UHFFFAOYSA-N |
