HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(4-Methoxyphenyl)-3-nitrochromen-4-one
4H-1-Benzopyran-4-one,2-(4-methoxyphenyl)-3-nitro-(9CI)
Identifiers & Physical Properties
| CAS No. | 143468-22-8 |
|---|---|
| Molecular formula | C16H11NO5 |
| Average molar mass | 297.26 g/mol |
| SMILES | COc1ccc(-c2oc3ccccc3c(=O)c2[N+](=O)[O-])cc1 |
| InChIKey | UODBUBWNHHUWFP-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 81.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 487 |