HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Acetyl-4-chloro-6-methylphenyl 3-methoxybenzoate
Identifiers & Physical Properties
| CAS No. | 88952-10-7 |
|---|---|
| Molecular formula | C17H15ClO4 |
| Average molar mass | 318.7 g/mol |
| Monoisotopic mass | 318.0658866 g/mol |
| SMILES | COc1cccc(C(=O)Oc2c(C)cc(Cl)cc2C(C)=O)c1 |
| InChIKey | BMFWOBGBCVCRCC-UHFFFAOYSA-N |
| PubChem CID | 13190813 |
| DTXSID | DTXSID60526014 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 411 |