Basic information
- CAS
898750-55-5- Standard SMILES
O=C(CCc1cc(F)cc(Cl)c1)c1ccc(Cl)cc1- InChIKey
KWSVBMNBPGCZJO-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2FO
- Average molar mass
- 297.1 g/mol
- Monoisotopic mass
- 296.0170985
Names & identifiers
- Preferred name
- 4'-Chloro-3-(3-chloro-5-fluorophenyl)propiophenone
- IUPAC
- 3-(3-chloro-5-fluorophenyl)-1-(4-chlorophenyl)propan-1-one
- English name
- 4'-Chloro-3-(3-chloro-5-fluorophenyl)propiophenone
- Molecular formula
- C15H11Cl2FO
- Molecular weight
- 297.15
Names & synonyms
898750-55-54'-CHLORO-3-(3-CHLORO-5-FLUOROPHENYL)PROPIOPHENONE3-(3-chloro-5-fluorophenyl)-1-(4-chlorophenyl)propan-1-oneMFCD03843937DTXSID30644951AKOS0160220824-Chloro-3-(3-chloro-5-fluorophenyl)propiophenone3-(3-chloro-5-fluoro-phenyl)-1-(4-chlorophenyl)propan-1-one3-(3-Chloro-5-fluorophenyl)-1-(4-chlorophenyl)-1-propanone1-Propanone, 3-(3-chloro-5-fluorophenyl)-1-(4-chlorophenyl)-
Database identifiers
- CAS
898750-55-5- PubChem CID
- 24726558
- DTXSID
DTXSID30644951
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 415.2 · 415.2±40.0 °C(Predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
RIEKE[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…