HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Bromo-3-nitrobenzoate

Identifiers & Physical Properties
| Molecular formula | C7H3BrNO4- |
|---|---|
| Average molar mass | 245.01 g/mol |
| Monoisotopic mass | 243.92455 g/mol |
| SMILES | O=C([O-])c1cccc([N+](=O)[O-])c1Br |
| InChIKey | WTDJEGSXLFHZPY-UHFFFAOYSA-M |
| PubChem CID | 6946292 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 86 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 13 |
| Formal charge | -1 |
| Complexity | 222 |