F3B
概要
| 表記: | 1,3,5-trichloro-2,4,6-trifluorobenzene |
| 組成式: | C6 Cl3 F3 |
| 電荷: | 0 |
| 化学式量: | 235.418 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 | 1,3,5-trichloro-2,4,6-trifluorobenzene |
| OpenEye OEToolkits | 1.5.0 | 1,3,5-trichloro-2,4,6-trifluoro-benzene |
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 | Clc1c(F)c(Cl)c(F)c(Cl)c1F |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1c(Cl)c(F)c(Cl)c(F)c1Cl |
| SMILES | CACTVS | 3.341 | Fc1c(Cl)c(F)c(Cl)c(F)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F |
| InChI | InChI | 1.03 | InChI=1S/C6Cl3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11 |
| InChIKey | InChI | 1.03 | QPXZZPSKCVNHFW-UHFFFAOYSA-N |
