Benzoic acid, 3-chloro, octyl ester
octyl 3-chlorobenzoate
Also Known As: octyl 3-chlorobenzoate|ACMC-20m1fu|Benzoic acid, 3-chloro, octyl ester|Benzoic acid, 3-chloro-, octyl ester
CAS: 97221-99-3
| Molecular Formula | C15H21ClO2 |
|---|---|
| Molecular Weight | 268.12302 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 268.12302 |
| Monoisotopic Mass | 268.12302 |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 97221-99-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC(=CC=C1)Cl |
| InChIKey | WQNBXKKGVGKFPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Catalysts (8 patents)
Organic Building Blocks (3 patents)
Polymer Intermediates (38 patents)
Product Overview
Benzoic acid, 3-chloro, octyl ester (CAS 97221-99-3), with molecular formula C15H21ClO2 and molecular weight 268.12302 g/mol. IUPAC: octyl 3-chlorobenzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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