Basic information
- Standard SMILES
Cc1cc(C(=O)n2ccnc2)ccc1[N+](=O)[O-]- InChIKey
OVSNZHLPOWDQAT-UHFFFAOYSA-N- Molecular formula
- C11H9N3O3
- Average molar mass
- 231.21 g/mol
Names & identifiers
- Preferred name
- 1-[(3-methyl-4-nitrophenyl)carbonyl]-1H-imidazole
- IUPAC
- imidazol-1-yl-(3-methyl-4-nitrophenyl)methanone
Names & synonyms
SCHEMBL383755OVSNZHLPOWDQAT-UHFFFAOYSA-N1-[(3-methyl-4-nitrophenyl)carbonyl]-1H-imidazole
Database identifiers
- PubChem CID
- 57445449
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 316
Related reactions
1 records
Compound notes
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