5-Ethyl-1-methyl-2-nitro-1H-imidazole
Basic information
- CAS
22796-67-4- Standard SMILES
CCc1cnc([N+](=O)[O-])n1C- InChIKey
IKJZVLQZWUDHFV-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- 5-Ethyl-1-methyl-2-nitro-1H-imidazole
- IUPAC
- 5-ethyl-1-methyl-2-nitroimidazole
Names & synonyms
5-ethyl-1-methyl-2-nitro-1h-imidazole22796-67-4DTXSID80945480RefChem:1072851DTXCID70137379423406-67-95-Ethyl-1-methyl-2-nitroimidazoleImidazole, 5-ethyl-1-methyl-2-nitro-SCHEMBL12207994
Database identifiers
- CAS
22796-67-4- PubChem CID
- 89839
- DTXSID
DTXSID80945480- Nikkaji
- J86.845K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 156
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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