XHB
概要
| 表記: | 2,4,6-trifluorobenzaldehyde |
| 組成式: | C7 H3 F3 O |
| 電荷: | 0 |
| 化学式量: | 160.093 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 | 2,4,6-trifluorobenzaldehyde |
| OpenEye OEToolkits | 2.0.7 | 2,4,6-tris(fluoranyl)benzaldehyde |
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 | O=Cc1c(F)cc(F)cc1F |
| InChI | InChI | 1.06 | InChI=1S/C7H3F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H |
| InChIKey | InChI | 1.06 | KPJIEPBITZLHPQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(F)c(C=O)c(F)c1 |
| SMILES | CACTVS | 3.385 | Fc1cc(F)c(C=O)c(F)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1F)C=O)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1F)C=O)F)F |
