HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-Fluoro-2-butylamino-phenyl)-acrylic acid methyl ester
Identifiers & Physical Properties
| Molecular formula | C14H18FNO2 |
|---|---|
| Average molar mass | 251.3 g/mol |
| Monoisotopic mass | 251.13215698 g/mol |
| SMILES | CCCCNc1cc(F)ccc1C=CC(=O)OC |
| InChIKey | JSPQTPDFXJUJOX-UHFFFAOYSA-N |
| PubChem CID | 66856499 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 38.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 281 |