HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Chloro-2-(4-methoxycarbonylphenyl)benzoic acid
Identifiers & Physical Properties
| CAS No. | 1261991-22-3 |
|---|---|
| Molecular formula | C15H11ClO4 |
| Average molar mass | 290.7 g/mol |
| Monoisotopic mass | 290.0345865 g/mol |
| SMILES | COC(=O)c1ccc(-c2cccc(Cl)c2C(=O)O)cc1 |
| InChIKey | DMOZQVCBBPPPQL-UHFFFAOYSA-N |
| PubChem CID | 53227135 |
| DTXSID | DTXSID40690722 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 63.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 363 |