HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzoic acid, o-(benzyloxy)-, 7-nitro-8-quinolyl ester
7-Nitro-8-quinolyl=o-(benzyloxy)benzoate
Identifiers & Physical Properties
| CAS No. | 29002-47-9 |
|---|---|
| Molecular formula | C23H16N2O5 |
| Average molar mass | 400.4 g/mol |
| Monoisotopic mass | 400.10592162 g/mol |
| SMILES | O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1ccccc1OCc1ccccc1 |
| InChIKey | ADMOOVFKNDGTTO-UHFFFAOYSA-N |
| PubChem CID | 34412 |
| DTXSID | DTXSID90183210 |
Chemical & Physical Properties
| XLogP | 4.9 |
|---|---|
| Topological polar surface area | 94.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 589 |