HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-Chloro-2-nitro-phenoxy)-benzoic acid
Identifiers & Physical Properties
| Molecular formula | C13H8ClNO5 |
|---|---|
| Average molar mass | 293.66 g/mol |
| Monoisotopic mass | 293.0091 g/mol |
| SMILES | O=C(O)c1cccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1 |
| InChIKey | JOSHSGGVBNVIDG-UHFFFAOYSA-N |
| PubChem CID | 61395608 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 92.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 372 |