HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chloro-2,6-dinitrobenzene-1,3-diol
Identifiers & Physical Properties
| CAS No. | 5832-73-5 |
|---|---|
| Molecular formula | C6H3ClN2O6 |
| Average molar mass | 234.55 g/mol |
| Monoisotopic mass | 233.9679635 g/mol |
| SMILES | O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1O |
| InChIKey | HTKKXNRVIKBCRZ-UHFFFAOYSA-N |
| PubChem CID | 282949 |
| DTXSID | DTXSID60300457 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 132 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 0 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 276 |