HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Acetylphenyl 2,6-dinitrobenzoate
Identifiers & Physical Properties
| CAS No. | 64759-67-7 |
|---|---|
| Molecular formula | C15H10N2O7 |
| Average molar mass | 330.25 g/mol |
| Monoisotopic mass | 330.04880066 g/mol |
| SMILES | CC(=O)c1ccccc1OC(=O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] |
| InChIKey | ZBKPFGXWWUBNBU-UHFFFAOYSA-N |
| PubChem CID | 12372985 |
| DTXSID | DTXSID30494933 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 135 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 4 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 503 |