IBF
概要
| 表記: | 1,2,3,4,5-pentafluoro-6-iodobenzene |
| 組成式: | C6 F5 I |
| 電荷: | 0 |
| 化学式量: | 293.961 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-pentafluoro-6-iodobenzene |
| OpenEye OEToolkits | 1.5.0 | 1,2,3,4,5-pentafluoro-6-iodo-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 | Fc1c(F)c(F)c(F)c(I)c1F |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1c(F)c(F)c(I)c(F)c1F |
| SMILES | CACTVS | 3.341 | Fc1c(F)c(F)c(I)c(F)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1F)F)I)F)F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1F)F)I)F)F)F |
| InChI | InChI | 1.03 | InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| InChIKey | InChI | 1.03 | OPYHNLNYCRZOGY-UHFFFAOYSA-N |
