U43
概要
| 表記: | N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine |
| 組成式: | C8 H9 F3 N2 |
| 電荷: | 0 |
| 化学式量: | 190.166 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N~1~-methyl-4-(trifluoromethyl)benzene-1,2-diamine |
| OpenEye OEToolkits | 2.0.7 | ~{N}1-methyl-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 | 12.01 | Nc1cc(ccc1NC)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C8H9F3N2/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4,13H,12H2,1H3 |
| InChIKey | InChI | 1.06 | KWYSQBACVABOFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNc1ccc(cc1N)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CNc1ccc(cc1N)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNc1ccc(cc1N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNc1ccc(cc1N)C(F)(F)F |
