1-(2,6-Dichlorophenyl)-3-(3,5-difluorophenyl)propan-1-one
Basic information
- CAS
898777-54-3- Standard SMILES
O=C(CCc1cc(F)cc(F)c1)c1c(Cl)cccc1Cl- InChIKey
LTLOZKIBGATFPA-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2F2O
- Average molar mass
- 315.1 g/mol
- Monoisotopic mass
- 314.0076767
Names & identifiers
- Preferred name
- 1-(2,6-Dichlorophenyl)-3-(3,5-difluorophenyl)propan-1-one
- IUPAC
- 1-(2,6-dichlorophenyl)-3-(3,5-difluorophenyl)propan-1-one
- English name
- 2',6'-Dichloro-3-(3,5-difluorophenyl)propiophenone
- Molecular formula
- C15H10Cl2F2O
- Molecular weight
- 315.14
Names & synonyms
898777-54-32',6'-dichloro-3-(3,5-difluorophenyl)propiophenone1-(2,6-dichlorophenyl)-3-(3,5-difluorophenyl)propan-1-oneMFCD08064167DTXSID60644989AKOS016022047F2067381-(2,6-Dichlorophenyl)-3-(3,5-difluorophenyl)-1-propanone1-Propanone, 1-(2,6-dichlorophenyl)-3-(3,5-difluorophenyl)-
Database identifiers
- CAS
898777-54-3- PubChem CID
- 24726596
- DTXSID
DTXSID60644989
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 360.9 · 360.9±42.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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