3-Bromo-4-oxo-4-phenylbutanoic acid
3-bromo-4-oxo-4-phenylbutanoic acid
Also Known As: 3-bromo-4-oxo-4-phenylbutanoic acid|bromooxophenylbutanoicacid|3-benzoyl-3-bromo-propionic acid|KS-00001WKK|3-benzoyl-3-bromo propionic acid|3-BROMO-4-OXO-4-PHENYLBUTANOICACID|3-Bromo-4-oxo-4-phenyl-butyric acid||A-Bromo-|A-oxobenzenebutanoic acid|5122AE|Benzenebutanoic acid, b-bromo-g-oxo-|3-bromo-4-oxo-4-phenyl-butanoic acid|4K-525S|beta-Bromo-gamma-oxobenzenebutanoic acid|J2.065.312D|C-4027|I04-3514|NSC83013, MolPort-002-345-060, CID256295, 4K-525S, 53515-22-3|968-152-9
| Molecular Formula | C10H9BrO3 |
|---|---|
| Molecular Weight | 255.97351 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.97351 |
| Monoisotopic Mass | 255.97351 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 6004-88-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(CC(=O)O)Br |
| InChIKey | VPUHMOLSUUYGEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-4-oxo-4-phenylbutanoic acid (CAS 6004-88-2), with molecular formula C10H9BrO3 and molecular weight 255.97351 g/mol. IUPAC: 3-bromo-4-oxo-4-phenylbutanoic acid.