Basic information
- Standard SMILES
Cc1cn(-c2cc(F)cc(F)c2[N+](=O)[O-])c(Br)n1- InChIKey
VSEWQYCNFOQMSM-UHFFFAOYSA-N- Molecular formula
- C10H6BrF2N3O2
- Average molar mass
- 318.07 g/mol
- Monoisotopic mass
- 316.96115
Names & identifiers
- Preferred name
- 2-Bromo-1-(3,5-difluoro-2-nitrophenyl)-4-methyl-1H-imidazole
- IUPAC
- 2-bromo-1-(3,5-difluoro-2-nitrophenyl)-4-methylimidazole
Names & synonyms
2-Bromo-1-(3,5-difluoro-2-nitrophenyl)-4-methyl-1H-imidazoleSCHEMBL970957VSEWQYCNFOQMSM-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57732453
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Compound notes
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