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Basic information
- Standard SMILES
COc1cc(F)cc(-n2cc(C)nc2Br)c1[N+](=O)[O-]- InChIKey
FYFSBHMSYMMZIA-UHFFFAOYSA-N- Molecular formula
- C11H9BrFN3O3
- Average molar mass
- 330.11 g/mol
- Monoisotopic mass
- 328.98113
Names & identifiers
- Preferred name
- 2-bromo-1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methyl-1H-imidazole
- IUPAC
- 2-bromo-1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methylimidazole
Names & synonyms
SCHEMBL968700FYFSBHMSYMMZIA-UHFFFAOYSA-N2-bromo-1-(5-fluoro-3-methoxy-2-nitrophenyl)-4-methyl-1H-imidazole
Database identifiers
- PubChem CID
- 57732469
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
2 records
Compound notes
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