Basic information
- CAS
64359-36-0- Standard SMILES
Cc1ccc(Sc2ccccc2CCl)cc1F- InChIKey
JNGQUZJXLYYVOI-UHFFFAOYSA-N- Molecular formula
- C14H12ClFS
- Average molar mass
- 266.8 g/mol
- Monoisotopic mass
- 266.0332274
Names & identifiers
- Preferred name
- 4-{[2-(Chloromethyl)phenyl]sulfanyl}-2-fluoro-1-methylbenzene
- IUPAC
- 4-[2-(chloromethyl)phenyl]sulfanyl-2-fluoro-1-methylbenzene
Names & synonyms
64359-36-0DTXSID804950164-{[2-(Chloromethyl)phenyl]sulfanyl}-2-fluoro-1-methylbenzene
Database identifiers
- CAS
64359-36-0- PubChem CID
- 12374610
- DTXSID
DTXSID80495016
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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