1-Methylethyl 4-chlorobutanoate
propan-2-yl 4-chlorobutanoate
Also Known As: ISOPROPYL 4-CHLOROBUTANOATE|propan-2-yl 4-chlorobutanoate|Vilazodone Impurity 7|isopropyl 4-chlorobutyrate|ISO-PROPYLCHLOROBUTYRATE|1-Methylethyl 4-chlorobutanoate|Vilazodone Related Impurity 12|Butanoic acid, 4-chloro, 1-methylethyl ester|Butanoic acid, 4-chloro-, 1-methylethyl ester|Butyric acid, 4-chloro-, isopropyl ester|1-Methylethyl 4-chlorobutanoate (ACI); Butyric acid, 4-chloro-, isopropyl ester (7CI, 8CI); Isopropyl 4-chlorobutanoate; Isopropyl 4-chlorobutyrate; Methylethyl 4-chlorobutanoate
| Molecular Formula | C7H13ClO2 |
|---|---|
| Molecular Weight | 164.06041 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 164.06041 |
| Monoisotopic Mass | 164.06041 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 3153-34-2 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCl |
| InChIKey | JNUHPPXYHXKRFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylethyl 4-chlorobutanoate (CAS 3153-34-2), with molecular formula C7H13ClO2 and molecular weight 164.06041 g/mol. IUPAC: propan-2-yl 4-chlorobutanoate.