FCR
概要
| 表記: | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL |
| 組成式: | C7 H5 F3 O |
| 電荷: | 0 |
| 化学式量: | 162.109 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)phenol |
| OpenEye OEToolkits | 1.5.0 | 4-(trifluoromethyl)phenol |
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)c1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(F)(F)F)O |
| InChI | InChI | 1.03 | InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H |
| InChIKey | InChI | 1.03 | BAYGVMXZJBFEMB-UHFFFAOYSA-N |
