UFV
概要
| 表記: | 3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE |
| 組成式: | C7 H6 Br F3 N2 |
| 電荷: | 0 |
| 化学式量: | 255.035 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 1.7.6 | 3-bromanyl-5-(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 |
| InChI | InChI | 1.03 | InChI=1S/C7H6BrF3N2/c8-4-1-3(7(9,10)11)2-5(12)6(4)13/h1-2H,12-13H2 |
| InChIKey | InChI | 1.03 | OVGAPUVMLZWQQF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc(cc(Br)c1N)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Nc1cc(cc(Br)c1N)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1N)N)Br)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(c(c1N)N)Br)C(F)(F)F |
