WJ7
概要
| 表記: | 2-bromo-4-fluoro-N,N-dimethylbenzamide |
| 組成式: | C9 H9 Br F N O |
| 電荷: | 0 |
| 化学式量: | 246.076 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-bromo-4-fluoro-N,N-dimethylbenzamide |
| OpenEye OEToolkits | 2.0.7 | 2-bromanyl-4-fluoranyl-~{N},~{N}-dimethyl-benzamide |
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 | 12.01 | c1cc(cc(Br)c1C(N(C)C)=O)F |
| InChI | InChI | 1.03 | InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3 |
| InChIKey | InChI | 1.03 | CGUIJOTZYHWBSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)c1ccc(F)cc1Br |
| SMILES | CACTVS | 3.385 | CN(C)C(=O)c1ccc(F)cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1ccc(cc1Br)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)c1ccc(cc1Br)F |
