3'-Chloro-5'-fluoro-3-phenylpropiophenone
Basic information
- CAS
898764-60-8- Standard SMILES
O=C(CCc1ccccc1)c1cc(F)cc(Cl)c1- InChIKey
LUIOAWBHUYWQKQ-UHFFFAOYSA-N- Molecular formula
- C15H12ClFO
- Average molar mass
- 262.7 g/mol
- Monoisotopic mass
- 262.0560709
Names & identifiers
- Preferred name
- 3'-Chloro-5'-fluoro-3-phenylpropiophenone
- IUPAC
- 1-(3-chloro-5-fluorophenyl)-3-phenylpropan-1-one
- English name
- 3'-Chloro-5'-fluoro-3-phenylpropiophenone
- Molecular formula
- C15H12ClFO
- Molecular weight
- 262.71
Names & synonyms
3'-CHLORO-5'-FLUORO-3-PHENYLPROPIOPHENONE898764-60-81-(3-chloro-5-fluorophenyl)-3-phenylpropan-1-oneMFCD03842947DTXSID40643990AKOS016021097F2056021-(3-Chloro-5-fluorophenyl)-3-phenyl-1-propanone1-(3-chloro-5-fluoro-phenyl)-3-phenyl-propan-1-one1-Propanone, 1-(3-chloro-5-fluorophenyl)-3-phenyl-
Database identifiers
- CAS
898764-60-8- PubChem CID
- 24725596
- DTXSID
DTXSID40643990
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 389.2 · 389.2±37.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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