BEK
概要
| 表記: | 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE |
| 組成式: | C8 H5 F4 N O2 |
| 電荷: | 0 |
| 化学式量: | 223.124 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2,3,5,6-tetrafluoro-4-methoxybenzamide |
| OpenEye OEToolkits | 1.5.0 | 2,3,5,6-tetrafluoro-4-methoxy-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 | 10.04 | Fc1c(F)c(c(F)c(F)c1OC)C(=O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1c(F)c(F)c(C(N)=O)c(F)c1F |
| SMILES | CACTVS | 3.341 | COc1c(F)c(F)c(C(N)=O)c(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1c(c(c(c(c1F)F)C(=O)N)F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1c(c(c(c(c1F)F)C(=O)N)F)F |
| InChI | InChI | 1.03 | InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14) |
| InChIKey | InChI | 1.03 | JTXPTSGPUNTKSM-UHFFFAOYSA-N |
