QI8
概要
| 表記: | 2,3,5,6-tetrafluoro-N-hydroxybenzamide |
| 組成式: | C7 H3 F4 N O2 |
| 電荷: | 0 |
| 化学式量: | 209.098 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 | 2,3,5,6-tetrafluoro-N-hydroxybenzamide |
| OpenEye OEToolkits | 2.0.7 | 2,3,5,6-tetrakis(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(C(=O)NO)c(F)c(F)cc1F |
| InChI | InChI | 1.03 | InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13) |
| InChIKey | InChI | 1.03 | SOMUBBZQEJMTQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1c(F)c(F)cc(F)c1F |
| SMILES | CACTVS | 3.385 | ONC(=O)c1c(F)c(F)cc(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(c(c(c1F)F)C(=O)NO)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(c(c(c1F)F)C(=O)NO)F)F |
