25N
概要
| 表記: | (3,5-di-tert-butylphenyl)boronic acid |
| 組成式: | C14 H23 B O2 |
| 電荷: | 0 |
| 化学式量: | 234.142 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 | (3,5-di-tert-butylphenyl)boronic acid |
| OpenEye OEToolkits | 1.7.6 | (3,5-ditert-butylphenyl)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 |
| SMILES | ACDLabs | 12.01 | OB(O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3 |
| InChIKey | InChI | 1.03 | RPCBIEHUQSGPNA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1cc(cc(c1)C(C)(C)C)B(O)O |
| SMILES | CACTVS | 3.370 | CC(C)(C)c1cc(cc(c1)C(C)(C)C)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | B(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(O)O |
