Methyl (4-chlorobenzoyl)acetate
methyl 3-(4-chlorophenyl)-3-oxopropanoate
Also Known As: Methyl 4-chlorobenzoylacetate|methyl 3-(4-chlorophenyl)-3-oxopropanoate|Methyl (4-chlorobenzoyl)acetate|METHYL ACETATE|ACMC-1ALCU|Benzoyl isocyanate,4-chloro|Methyl(4-chlorobenzoyl)acetate|methyl 3-(4-chlorophenyl)-2-oxopropanoate|KS-00000ZRZ|2-fluoro-3-(hydroxymethyl)pyridine|METHYL 4-CHLOROPHENYLPYRUVATE|1155AB|AB7497|Methyl 3-(4_Chlorophenyl)-3-oxopropanoate|p-chloro-benzoylacetic acid methyl ester|Methyl3-(4-chlorophenyl)-3-oxopropanoate
| Molecular Formula | C10H9ClO3 |
|---|---|
| Molecular Weight | 212.02402 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.02402 |
| Monoisotopic Mass | 212.02402 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 5330-47-2 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | OIPOJEDRCKVDJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl (4-chlorobenzoyl)acetate (CAS 5330-47-2), with molecular formula C10H9ClO3 and molecular weight 212.02402 g/mol. IUPAC: methyl 3-(4-chlorophenyl)-3-oxopropanoate.