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| Ligand Name: (3-bromo-4-methylphenyl)boronic acid |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB377 |
PubChem:
23210204
|
Synonym(s):
- 3-bromo-4-methylphenylboronic acid
- 1312765-69-7
- acmc-209blb
- dtxsid40631276
- anw-19293
- mfcd16295252
- akos015892969
- zinc169913268
- bc001096
- boronic acid, b-(3-bromo-4-methylphenyl)-
- z0083
- a-4725
show 11 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: OB(O)c1ccc(C)c(Br)c1 |
| Standard InChI: InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3 |
| Molecular Formula: C7H8BBrO2 |
Mol. Weight: 213.98007 |
logP: 0.43732 |
| HBD: 2 | HBA: 2 |
| #Rotatable Bonds: 1 | TPSA: 40.46 |