4'-Chloro-2'-fluoro-3-(3-methoxyphenyl)propiophenone
Basic information
- CAS
898775-10-5- Standard SMILES
COc1cccc(CCC(=O)c2ccc(Cl)cc2F)c1- InChIKey
QOILOJNVLFLIML-UHFFFAOYSA-N- Molecular formula
- C16H14ClFO2
- Average molar mass
- 292.73 g/mol
- Monoisotopic mass
- 292.0666355
Names & identifiers
- Preferred name
- 4'-Chloro-2'-fluoro-3-(3-methoxyphenyl)propiophenone
- IUPAC
- 1-(4-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-1-one
- English name
- 4'-CHLORO-2'-FLUORO-3-(3-METHOXYPHENYL)PROPIOPHENONE
- Molecular formula
- C16H14ClFO2
- Molecular weight
- 292.73
Names & synonyms
898775-10-54'-CHLORO-2'-FLUORO-3-(3-METHOXYPHENYL)PROPIOPHENONEMFCD038431331-(4-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-1-oneDTXSID40644245AKOS016021491F2058674-Chloro-2-fluoro-3-(3-methoxyphenyl)propiophenone1-(4-chloro-2-fluoro-phenyl)-3-(3-methoxyphenyl)propan-1-one1-(4-Chloro-2-fluorophenyl)-3-(3-methoxyphenyl)-1-propanone1-Propanone, 1-(4-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)-
Database identifiers
- CAS
898775-10-5- PubChem CID
- 24725852
- DTXSID
DTXSID40644245
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 424.3 · 424.3±40.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…