HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Acetyl-4-chloro-5-methylphenyl 4-methylbenzoate
Identifiers & Physical Properties
| CAS No. | 88952-18-5 |
|---|---|
| Molecular formula | C17H15ClO3 |
| Average molar mass | 302.7 g/mol |
| Monoisotopic mass | 302.070972 g/mol |
| SMILES | CC(=O)c1cc(Cl)c(C)cc1OC(=O)c1ccc(C)cc1 |
| InChIKey | VMOUVMHYLZRIIO-UHFFFAOYSA-N |
| PubChem CID | 13190821 |
| DTXSID | DTXSID90526022 |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 387 |