Basic information
- CAS
82603-41-6- Standard SMILES
Cc1ncc([N+](=O)[O-])n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
CKUHQYAVNYLAEA-UHFFFAOYSA-N- Molecular formula
- C10H7N5O6
- Average molar mass
- 293.19 g/mol
- Monoisotopic mass
- 293.03963296
Names & identifiers
- Preferred name
- 1-(2,4-Dinitrophenyl)-2-methyl-5-nitroimidazole
- IUPAC
- 1-(2,4-dinitrophenyl)-2-methyl-5-nitroimidazole
Names & synonyms
NSC36287682603-41-6DTXSID80320652NSC-362876DS-0079361-(2,4-dinitrophenyl)-2-methyl-5-nitro-imidazole1-(2,4-Dinitrophenyl)-2-methyl-5-nitro-1H-imidazole
Database identifiers
- CAS
82603-41-6- PubChem CID
- 338786
- DTXSID
DTXSID80320652
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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