Basic information
- CAS
898749-86-5- Standard SMILES
O=C(CCc1ccccc1C(F)(F)F)c1c(Cl)cccc1Cl- InChIKey
PMFUIGHJIMRBGT-UHFFFAOYSA-N- Molecular formula
- C16H11Cl2F3O
- Average molar mass
- 347.2 g/mol
- Monoisotopic mass
- 346.0139048
Names & identifiers
- Preferred name
- 1-(2,6-Dichlorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
- IUPAC
- 1-(2,6-dichlorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
- English name
- 2',6'-DICHLORO-3-(2-TRIFLUOROMETHYLPHENYL)PROPIOPHENONE
- Molecular formula
- C16H11Cl2F3O
- Molecular weight
- 347.16
Names & synonyms
898749-86-52',6'-dichloro-3-(2-trifluoromethylphenyl)propiophenone1-(2,6-dichlorophenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-oneMFCD08064153DTXSID70644930AKOS016022180F2066792,6-Dichloro-3-(2-trifluoromethylphenyl)-propiophenone1-(2,6-Dichlorophenyl)-3-[2-(trifluoromethyl)phenyl]-1-propanone1-Propanone, 1-(2,6-dichlorophenyl)-3-[2-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
898749-86-5- PubChem CID
- 24726537
- DTXSID
DTXSID70644930
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 368.2 · 368.2±42.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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