J27
概要
| 表記: | [3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium |
| 組成式: | C14 H14 Cl F N |
| 電荷: | 1 |
| 化学式量: | 250.719 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 | 2.0.6 | [3-chloranyl-4-(4-fluoranyl-2-methyl-phenyl)phenyl]methylazanium |
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/C14H13ClFN/c1-9-6-11(16)3-5-12(9)13-4-2-10(8-17)7-14(13)15/h2-7H,8,17H2,1H3/p+1 |
| InChIKey | InChI | 1.03 | NTGIJTSMASUCKW-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(F)ccc1c2ccc(C[NH3+])cc2Cl |
| SMILES | CACTVS | 3.385 | Cc1cc(F)ccc1c2ccc(C[NH3+])cc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F |
