Basic information
- CAS
58472-46-1- Standard SMILES
CC(CCl)C(=O)c1ccc(F)cc1- InChIKey
QHOOFLZXXFRSQL-UHFFFAOYSA-N- Molecular formula
- C10H10ClFO
- Average molar mass
- 200.64 g/mol
- Monoisotopic mass
- 200.04042084
Names & identifiers
- Preferred name
- 3-Chloro-1-(4-fluorophenyl)-2-methylpropan-1-one
- IUPAC
- 3-chloro-1-(4-fluorophenyl)-2-methylpropan-1-one
Names & synonyms
3-Chloro-1-(4-fluorophenyl)-2-methylpropan-1-one58472-46-13-chloro-4'-fluoro-2-methylpropiophenoneSCHEMBL11806200DTXSID00615532QHOOFLZXXFRSQL-UHFFFAOYSA-N
Database identifiers
- CAS
58472-46-1- PubChem CID
- 21521890
- DTXSID
DTXSID00615532
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
5 records
Compound notes
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