HuagongsheHuagongshe Chemistry Print Report · For research reference only
alpha-Hydroxy-2-nitro-3-phenylbenzofuran-7-acetonitrile
Identifiers & Physical Properties
| Molecular formula | C16H10N2O4 |
|---|---|
| Average molar mass | 294.26 g/mol |
| Monoisotopic mass | 294.0640568 g/mol |
| SMILES | N#CC(O)c1cccc2c(-c3ccccc3)c([N+](=O)[O-])oc12 |
| InChIKey | HOHCTVUAVAWRLH-UHFFFAOYSA-N |
| PubChem CID | 13531663 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 103 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 463 |