RY2
概要
| 表記: | (3-(1H-tetrazol-5-yl)phenyl)boronic acid |
| 別名: | [3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid 3-(1H-Tetrazol-5-yl)phenylboronic Acid; 3-(2H-Tetrazol-5-yl)-phenyl-boronic acid; 3-(TETRAZOL-5-YL)PHENYLBORONIC ACID; Boronic acid,B-[3-(2H-tetrazol-5-yl)phenyl]- |
| 組成式: | C7 H7 B N4 O2 |
| 電荷: | 0 |
| 化学式量: | 189.967 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 | 2.0.7 | [3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid |
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/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12) |
| InChIKey | InChI | 1.03 | XMJKBDSKRITXBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1cccc(c1)c2n[nH]nn2 |
| SMILES | CACTVS | 3.385 | OB(O)c1cccc(c1)c2n[nH]nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)c2n[nH]nn2)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)c2n[nH]nn2)(O)O |
