Benzenebutanoic acid, 3-chloro-4-(1-methylethyl)-gamma-oxo-
4-(3-chloro-4-propan-2-ylphenyl)-4-oxobutanoic acid
Also Known As: CB 844|3-Chloro-4-isopropyl-gamma-oxobenzenebutanoic acid|Benzenebutanoic acid, 3-chloro-4-(1-methylethyl)-gamma-oxo-|3-Chloro-4-(1-methylethyl)-gamma-oxobenzenebutanoic acid|4-(3-chloro-4-propan-2-ylphenyl)-4-oxobutanoic acid|4-[3-chloro-4-(propan-2-yl)phenyl]-4-oxobutanoic acid|Acide (isopropyl-4 chloro-3 phenyl)-4 oxo-4 butyrique|Acide (isopropyl-4 chloro-3 phenyl)-4 oxo-4 butyrique [French]|Benzenebutanoic acid,3-chloro-4-(1-methylethyl)-g-oxo-
| Molecular Formula | C13H15ClO3 |
|---|---|
| Molecular Weight | 254.07097 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.07097 |
| Monoisotopic Mass | 254.07097 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 37682-29-4 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)C(=O)CCC(=O)O)Cl |
| InChIKey | IABOTBQLHBOLNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenebutanoic acid, 3-chloro-4-(1-methylethyl)-gamma-oxo- (CAS 37682-29-4), with molecular formula C13H15ClO3 and molecular weight 254.07097 g/mol. IUPAC: 4-(3-chloro-4-propan-2-ylphenyl)-4-oxobutanoic acid.
Benzenebutanoic acid, 3-chloro-4-(1-methylethyl)-gamma-oxo- is a custom synthesis product. We offer services from milligram to kilogram scale.
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