UJZ
概要
| 表記: | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole |
| 組成式: | C8 H4 Br F3 N2 |
| 電荷: | 0 |
| 化学式量: | 265.03 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C8H4BrF3N2/c9-5-1-4(8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14) |
| InChIKey | InChI | 1.03 | HYTQERQCUFICAX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc(Br)c2nc[nH]c2c1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cc(Br)c2nc[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F |
