7NJ
Summary
| Name: | (3-bromo-4-methylphenyl)boronic acid |
| Formula: | C7 H8 B Br O2 |
| Formal charge: | 0 |
| Formula weight: | 214.852 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3-bromo-4-methylphenyl)boronic acid |
| OpenEye OEToolkits | 2.0.6 | (3-bromanyl-4-methyl-phenyl)boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1c(ccc(c1)B(O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3 |
| InChIKey | InChI | 1.03 | VBESRPDPCSIDEN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1Br)B(O)O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1Br)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)Br)C)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)Br)C)(O)O |
