Basic information
- CAS
22796-70-9- Standard SMILES
CCCCc1cnc([N+](=O)[O-])n1C- InChIKey
YGRSFVUXNRPCJA-UHFFFAOYSA-N- Molecular formula
- C8H13N3O2
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.10077667
Names & identifiers
- Preferred name
- Imidazole, 5-butyl-1-methyl-2-nitro-
- IUPAC
- 5-butyl-1-methyl-2-nitroimidazole
- English name
- 5-Butyl-1-methyl-2-nitro-1H-imidazole
- Molecular weight
- 0
Names & synonyms
5-Butyl-1-methyl-2-nitroimidazole22796-70-9Imidazole, 5-butyl-1-methyl-2-nitro-DTXSID30177350RefChem:348878DTXCID20998415-butyl-1-methyl-2-nitro-1h-imidazole
Database identifiers
- CAS
22796-70-9- PubChem CID
- 89840
- DTXSID
DTXSID30177350- Nikkaji
- J49.314G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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