HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-fluoro-4-(1H-pyrrol-1-yl)benzoic acid
Identifiers & Physical Properties
| CAS No. | 1258649-91-0 |
|---|---|
| Molecular formula | C11H8FNO2 |
| Average molar mass | 205.18 g/mol |
| Monoisotopic mass | 205.05390672 g/mol |
| SMILES | O=C(O)c1ccc(-n2cccc2)c(F)c1 |
| InChIKey | ATFCCZZCELDWDM-UHFFFAOYSA-N |
| PubChem CID | 50990512 |
| DTXSID | DTXSID901268014 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 42.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 241 |