Basic information
- Standard SMILES
O=[N+]([O-])CCc1cccc([N+](=O)[O-])c1- InChIKey
FFBMBNOWZMJDCS-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
Names & identifiers
- Preferred name
- 1-Nitro-3-(2-nitroethyl)benzene
- IUPAC
- 1-nitro-3-(2-nitroethyl)benzene
Names & synonyms
NSC6370051-nitro-3-(2-nitroethyl)benzeneSCHEMBL5255228CHEMBL2001509FFBMBNOWZMJDCS-UHFFFAOYSA-N2-(3-nitrophenyl)-1-nitroethaneAKOS006276957NSC-637005NCI60_012269Hydroxy(3-(2-(hydroxy(oxido)amino)ethyl)phenyl)azane oxide
Database identifiers
- PubChem CID
- 367366
- ChEMBL
CHEMBL2001509
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
- 220
Related reactions
3 records
Compound notes
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