HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[(4-Chlorophenyl)sulfanyl]-4-fluorobenzoic acid
![2-[(4-Chlorophenyl)sulfanyl]-4-fluorobenzoic acid molecular structure](/img/chemical/69167883.png)
Identifiers & Physical Properties
| CAS No. | 56096-91-4 |
|---|---|
| Molecular formula | C13H8ClFO2S |
| Average molar mass | 282.72 g/mol |
| Monoisotopic mass | 281.9917565 g/mol |
| SMILES | O=C(O)c1ccc(F)cc1Sc1ccc(Cl)cc1 |
| InChIKey | MDQPIQKYHRZRRO-UHFFFAOYSA-N |
| PubChem CID | 69167883 |
| DTXSID | DTXSID00739944 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 62.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 295 |