HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(4-Methylphenoxy)-2,4-dinitrobenzene

Identifiers & Physical Properties
| CAS No. | 2363-25-9 |
|---|---|
| Molecular formula | C13H10N2O5 |
| Average molar mass | 274.23 g/mol |
| Monoisotopic mass | 274.05897142 g/mol |
| SMILES | Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 |
| InChIKey | CEKPDDJQMYRXPN-UHFFFAOYSA-N |
| PubChem CID | 346113 |
| DTXSID | DTXSID40323508 |
Chemical & Physical Properties
| XLogP | 3.1 |
|---|---|
| Topological polar surface area | 101 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 357 |