2-Bromo-1-(2,3,4-trichlorophenyl)ethanone
Basic information
- CAS
79779-66-1- Standard SMILES
O=C(CBr)c1ccc(Cl)c(Cl)c1Cl- InChIKey
VLDDCKKHWOFPMO-UHFFFAOYSA-N- Molecular formula
- C8H4BrCl3O
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 299.85111
Names & identifiers
- Preferred name
- 2-Bromo-1-(2,3,4-trichlorophenyl)ethanone
- IUPAC
- 2-bromo-1-(2,3,4-trichlorophenyl)ethanone
- English name
- 2-bromo-1-(2,3,4-trichlorophenyl)ethan-1-one
- Molecular formula
- C8H4BrCl3O
- Molecular weight
- 302.38
Names & synonyms
2-bromo-1-(2,3,4-trichlorophenyl)ethanone79779-66-12-Bromo-1-(2,3,4-trichlorophenyl)ethan-1-oneEINECS 279-258-3SCHEMBL1480881DTXSID7010007272-Bromo-2',3',4'-trichloroacetophenoneNS00061042α-Bromo-2',3',4'-trichloroacetophenoneEthanone, 2-bromo-1-(2,3,4-trichlorophenyl)-
Database identifiers
- CAS
79779-66-1- PubChem CID
- 3018865
- DTXSID
DTXSID701000727- EC Number
- 279-258-3
- Nikkaji
- J320.156B
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 41 · 41-43 °C
- Boiling point
- 344.6 · 344.6±42.0 °C(Predicted)
- Density
- 1.778 · 1.778±0.06 g/cm3(Predicted)
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Related reactions
1 records
Compound notes
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