Basic information
- CAS
67029-79-2- Standard SMILES
Cc1cc(O)c(C(=O)CBr)cc1Cl- InChIKey
LYCIXUPHPWALKX-UHFFFAOYSA-N- Molecular formula
- C9H8BrClO2
- Average molar mass
- 263.51 g/mol
- Monoisotopic mass
- 261.93962
Names & identifiers
- Preferred name
- 2-Bromo-1-(5-chloro-2-hydroxy-4-methylphenyl)ethan-1-one
- IUPAC
- 2-bromo-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
- English name
- 2-Bromo-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
- Molecular formula
- C9H8BrClO2
- Molecular weight
- 263.52
Names & synonyms
67029-79-2DTXSID106972032-bromo-1-(5-chloro-2-hydroxy-4-methylphenyl)ethan-1-oneEthanone, 2-bromo-1-(5-chloro-2-hydroxy-4-methylphenyl)-
Database identifiers
- CAS
67029-79-2- PubChem CID
- 53416618
- DTXSID
DTXSID10697203
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Chemistry & industry
Suppliers2 total
Dr. Jagath Reddy's Heterocyclics[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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