QHO
概要
| 表記: | 2,3,5-trifluoro-N-hydroxybenzamide |
| 組成式: | C7 H4 F3 N O2 |
| 電荷: | 0 |
| 化学式量: | 191.107 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 | 2,3,5-trifluoro-N-hydroxybenzamide |
| OpenEye OEToolkits | 2.0.7 | 2,3,5-tris(fluoranyl)-~{N}-oxidanyl-benzamide |
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 | Fc1c(cc(F)cc1F)C(=O)NO |
| InChI | InChI | 1.03 | InChI=1S/C7H4F3NO2/c8-3-1-4(7(12)11-13)6(10)5(9)2-3/h1-2,13H,(H,11,12) |
| InChIKey | InChI | 1.03 | KNGFWHCRGOZPON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1cc(F)cc(F)c1F |
| SMILES | CACTVS | 3.385 | ONC(=O)c1cc(F)cc(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1C(=O)NO)F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1C(=O)NO)F)F)F |
