FYY
概要
| 表記: | 2-aminoethyl (4-bromophenyl)phenylborinate |
| 組成式: | C14 H15 B Br N O |
| 電荷: | 0 |
| 化学式量: | 303.99 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-aminoethyl (4-bromophenyl)phenylborinate |
| OpenEye OEToolkits | 2.0.6 | 2-[(4-bromophenyl)-phenyl-boranyl]oxyethanamine |
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 | B(c1ccc(Br)cc1)(c2ccccc2)OCCN |
| InChI | InChI | 1.03 | InChI=1S/C14H15BBrNO/c16-14-8-6-13(7-9-14)15(18-11-10-17)12-4-2-1-3-5-12/h1-9H,10-11,17H2 |
| InChIKey | InChI | 1.03 | WVCHSOYKLDCILQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCOB(c1ccccc1)c2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | NCCOB(c1ccccc1)c2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccccc1)(c2ccc(cc2)Br)OCCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccccc1)(c2ccc(cc2)Br)OCCN |
