F5B
概要
| 表記: | 1,2,3,4,5-pentafluorobenzene |
| 組成式: | C6 H F5 |
| 電荷: | 0 |
| 化学式量: | 168.064 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 | 1,2,3,4,5-pentafluorobenzene |
| OpenEye OEToolkits | 1.5.0 | 1,2,3,4,5-pentafluorobenzene |
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 | Fc1cc(F)c(F)c(F)c1F |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1cc(F)c(F)c(F)c1F |
| SMILES | CACTVS | 3.341 | Fc1cc(F)c(F)c(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c(c(c(c1F)F)F)F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c(c(c(c1F)F)F)F)F |
| InChI | InChI | 1.03 | InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H |
| InChIKey | InChI | 1.03 | WACNXHCZHTVBJM-UHFFFAOYSA-N |
