HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Fluoro-3-(4-fluoro-3-trifluoromethylphenyl)benzoic acid
Identifiers & Physical Properties
| CAS No. | 1261938-99-1 |
|---|---|
| Molecular formula | C14H7F5O2 |
| Average molar mass | 302.2 g/mol |
| Monoisotopic mass | 302.03662027 g/mol |
| SMILES | O=C(O)c1ccc(F)c(-c2ccc(F)c(C(F)(F)F)c2)c1 |
| InChIKey | QDQPDYMSGQPAPN-UHFFFAOYSA-N |
| PubChem CID | 53228317 |
| DTXSID | DTXSID40691850 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 37.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 2 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 384 |