HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Fluoro-2-(3-pyrrolidinylcarbonylphenyl)benzoic acid
Identifiers & Physical Properties
| CAS No. | 1262010-48-9 |
|---|---|
| Molecular formula | C18H16FNO3 |
| Average molar mass | 313.3 g/mol |
| Monoisotopic mass | 313.11142153 g/mol |
| SMILES | O=C(O)c1cc(F)ccc1-c1cccc(C(=O)N2CCCC2)c1 |
| InChIKey | RUYWYNGPIJDCIA-UHFFFAOYSA-N |
| PubChem CID | 53228564 |
| DTXSID | DTXSID70692097 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 57.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 450 |