Benzene, dinitroethyl-
Basic information
- CAS
26590-17-0- Standard SMILES
O=[N+]([O-])C(Cc1ccccc1)[N+](=O)[O-]- InChIKey
PQSWCVYWEGIBPY-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- Benzene, dinitroethyl-
- IUPAC
- 2,2-dinitroethylbenzene
Names & synonyms
Benzene, dinitroethyl-(Dinitroethyl)benzene26590-17-0DTXSID30181154RefChem:323952DTXCID40103645(2,2-dinitroethyl)benzenedinitroethylbenzeneSCHEMBL187342SCHEMBL15515583ethane, 1,1-dinitro-2-phenyl-
Database identifiers
- CAS
26590-17-0- PubChem CID
- 213516
- DTXSID
DTXSID30181154
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…