HuagongsheHuagongshe Chemistry Print Report · For research reference only
{2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetic acid
![{2-[(4-Chloro-3-methoxyphenyl)sulfanyl]phenyl}acetic acid molecular structure](/img/chemical/12374613.png)
Identifiers & Physical Properties
| CAS No. | 61150-53-6 |
|---|---|
| Molecular formula | C15H13ClO3S |
| Average molar mass | 308.8 g/mol |
| Monoisotopic mass | 308.0273931 g/mol |
| SMILES | COc1cc(Sc2ccccc2CC(=O)O)ccc1Cl |
| InChIKey | FOAHRXRPBBZJGL-UHFFFAOYSA-N |
| PubChem CID | 12374613 |
| DTXSID | DTXSID60495019 |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 71.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 326 |