Basic information
- CAS
138335-96-3- Standard SMILES
CC(=O)c1c(Br)nc(Br)n1C- InChIKey
DPVUWKWRZQAICA-UHFFFAOYSA-N- Molecular formula
- C6H6Br2N2O
- Average molar mass
- 281.93 g/mol
- Monoisotopic mass
- 279.88469
Names & identifiers
- Preferred name
- 1-(2,5-Dibromo-3-methylimidazol-4-yl)ethanone
- IUPAC
- 1-(2,5-dibromo-3-methylimidazol-4-yl)ethanone
Names & synonyms
1-(2,5-dibromo-3-methylimidazol-4-yl)ethanone138335-96-3DTXSID401605961-(2,4-Dibromo-1-methyl-1H-imidazol-5-yl)ethan-1-one
Database identifiers
- CAS
138335-96-3- PubChem CID
- 178462
- DTXSID
DTXSID40160596
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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