Benzene, 2,4-dinitro-1-(2-nitroethenyl)-
Basic information
- CAS
5816-92-2- Standard SMILES
O=[N+]([O-])C=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
HGESYNNHMWASIC-UHFFFAOYSA-N- Molecular formula
- C8H5N3O6
- Average molar mass
- 239.14 g/mol
- Monoisotopic mass
- 239.01783489
Names & identifiers
- Preferred name
- Benzene, 2,4-dinitro-1-(2-nitroethenyl)-
- IUPAC
- 2,4-dinitro-1-(2-nitroethenyl)benzene
Names & synonyms
Benzene, 2,4-dinitro-1-(2-nitroethenyl)-5816-92-2DTXSID403930892,4-Dinitro-1-(2-nitroethen-1-yl)benzene
Database identifiers
- CAS
5816-92-2- PubChem CID
- 3501016
- DTXSID
DTXSID40393089
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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