2-Chloro-1-(4-fluoro-3,5-dimethylphenyl)ethan-1-one
Basic information
- CAS
176548-89-3- Standard SMILES
Cc1cc(C(=O)CCl)cc(C)c1F- InChIKey
JOYMXRQJCIZXRF-UHFFFAOYSA-N- Molecular formula
- C10H10ClFO
- Average molar mass
- 200.64 g/mol
- Monoisotopic mass
- 200.0404208
Names & identifiers
- Preferred name
- 2-Chloro-1-(4-fluoro-3,5-dimethylphenyl)ethan-1-one
- IUPAC
- 2-chloro-1-(4-fluoro-3,5-dimethylphenyl)ethanone
Names & synonyms
2-chloro-1-(4-fluoro-3,5-dimethylphenyl)ethan-1-one176548-89-32-chloro-1-(4-fluoro-3,5-dimethylphenyl)ethanoneSCHEMBL8755885DTXSID101239708AKOS0143136623',5'-Dimethyl-4'-fluorophenacyl chlorideCS-0263051EN300-84947Z1255434696
Database identifiers
- CAS
176548-89-3- PubChem CID
- 54595040
- DTXSID
DTXSID101239708
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
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Compound notes
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