Basic information
- CAS
5297-92-7- Standard SMILES
Cc1cn(C)c([N+](=O)[O-])n1- InChIKey
ISFBTZLEOKKUDX-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- Imidazole, 1,4-dimethyl-2-nitro-
- IUPAC
- 1,4-dimethyl-2-nitroimidazole
Names & synonyms
Imidazole, 1,4-dimethyl-2-nitro-1,4-Dimethyl-2-nitroimidazole5297-92-71,4-Dimethyl-2-nitro-1H-imidazoleBRN 0608760DTXSID00201010ISFBTZLEOKKUDX-UHFFFAOYSA-N1,4-Dimethyl-2-nitro-1H-imidazole #
Database identifiers
- CAS
5297-92-7- PubChem CID
- 79181
- DTXSID
DTXSID00201010- Nikkaji
- J49.326K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…