HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 5-(3-fluorobenzyl)isoxazole-3-carboxylate
Identifiers & Physical Properties
| Molecular formula | C13H12FNO3 |
|---|---|
| Average molar mass | 249.24 g/mol |
| SMILES | CCOC(=O)c1cc(Cc2cccc(F)c2)on1 |
| InChIKey | CPVRZLLJPSHCJA-UHFFFAOYSA-N |
| PubChem CID | 66831768 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 52.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 287 |