HuagongsheHuagongshe Chemistry Print Report · For research reference only
Bis(4-nitrobenzyl) succinate
Identifiers & Physical Properties
| CAS No. | 58265-86-4 |
|---|---|
| Molecular formula | C18H16N2O8 |
| Average molar mass | 388.3 g/mol |
| Monoisotopic mass | 388.09066547 g/mol |
| SMILES | O=C(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1 |
| InChIKey | CTSIAVDIJRBHQL-UHFFFAOYSA-N |
| PubChem CID | 264635 |
| DTXSID | DTXSID30295124 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 144 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 9 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 505 |