ANI
概要
| 表記: | 4-(trifluoromethyl)aniline |
| 組成式: | C7 H6 F3 N |
| 電荷: | 0 |
| 化学式量: | 161.124 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 | 4-(trifluoromethyl)aniline |
| OpenEye OEToolkits | 1.7.0 | 4-(trifluoromethyl)aniline |
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 | FC(F)(F)c1ccc(N)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.370 | Nc1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(F)(F)F)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C(F)(F)F)N |
| InChI | InChI | 1.03 | InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2 |
| InChIKey | InChI | 1.03 | ODGIMMLDVSWADK-UHFFFAOYSA-N |
