Basic information
- CAS
4278-09-5- Standard SMILES
O=[N+]([O-])c1cc(-c2ncc[nH]2)cc([N+](=O)[O-])c1- InChIKey
VCYUDVGPXBELLX-UHFFFAOYSA-N- Molecular formula
- C9H6N4O4
- Average molar mass
- 234.17 g/mol
Names & identifiers
- Preferred name
- 2-(3,5-dinitrophenyl)-1H-imidazole
- IUPAC
- 2-(3,5-dinitrophenyl)-1H-imidazole
- English name
- 2-(3,5-Dinitro-phenyl)-1H-imidazole
- Molecular formula
- C9H6N4O4
- Molecular weight
- 234.17
Names & synonyms
2-(3,5-Dinitro-phenyl)-1H-imidazole1H-Imidazole, 2-(3,5-dinitrophenyl)-
Database identifiers
- CAS
4278-09-5
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Melting point
- 240 · 240-242 °C
- Boiling point
- 486.2 · 486.2±35.0 °C(Predicted)
- Density
- 1.561 · 1.561±0.06 g/cm3(Predicted)
- pka
- 11.47 · 11.47±0.24(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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