5-Bromovanillic acid
3-bromo-4-hydroxy-5-methoxybenzoic acid
Also Known As: 5-Bromovanillic acid|3-Bromo-4-hydroxy-5-methoxybenzoic acid|5-bromovanillicacid|EINECS 228-685-3|3-Bromo-4-hydroxy-5-methoxy-benzoic acid|AI3-19548|Benzoic acid, 3-bromo-4-hydroxy-5-methoxy-|Benzoic acid,3-bromo-4-hydroxy-5-methoxy-|J2.991.909G|N-Acetyl-1-chloro-3,4,6-tri-O-acetyl-galactosaminide|228-685-3
| Molecular Formula | C8H7BrO4 |
|---|---|
| Molecular Weight | 245.95277 g/mol |
| LogP | 1.86 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.95277 |
| Heavy Atoms | 13 |
| Complexity | 348.2 |
Chemical Identifiers
| CAS Number | 6324-52-3 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C(=O)O)Br)O |
Product Overview
5-Bromovanillic acid (CAS 6324-52-3), with molecular formula C8H7BrO4 and molecular weight 245.95277 g/mol. IUPAC: 3-bromo-4-hydroxy-5-methoxybenzoic acid.
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