Basic information
- CAS
21472-26-4- Standard SMILES
CCCc1cnc([N+](=O)[O-])[nH]1- InChIKey
PKWOWWVMUZLZAC-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- Imidazole, 2-nitro-4-propyl-, mixed with 2-nitro-5-propylimidazole (1:1)
- IUPAC
- 2-nitro-5-propyl-1H-imidazole
Names & synonyms
21472-26-4DTXSID30175755RefChem:348851DTXCID70982462-nitro-5-propyl-1h-imidazole
Database identifiers
- CAS
21472-26-4- PubChem CID
- 88923
- DTXSID
DTXSID30175755- Nikkaji
- J238.983E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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