3,4-Dinitrobenzoate
Basic information
- Standard SMILES
O=C([O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
OMVRRHJJQILIJX-UHFFFAOYSA-M- Molecular formula
- C7H3N2O6-
- Average molar mass
- 211.11 g/mol
- Monoisotopic mass
- 210.99911082
Names & identifiers
- Preferred name
- 3,4-Dinitrobenzoate
- IUPAC
- 3,4-dinitrobenzoate
Names & synonyms
3,4-dinitrobenzoateDTXSID001377076
Database identifiers
- PubChem CID
- 7343370
- DTXSID
DTXSID001377076
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 287
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Related reactions
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Compound notes
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