Basic information
- Standard SMILES
O=S(=O)(Cc1cccc(F)c1)c1ccc(F)c(Cl)c1- InChIKey
AQPJAMIVSLFSKG-UHFFFAOYSA-N- Molecular formula
- C13H9ClF2O2S
- Average molar mass
- 302.72 g/mol
- Monoisotopic mass
- 301.9979847
Names & identifiers
- Preferred name
- 2-Chloro-1-fluoro-4-[(3-fluorobenzyl)sulfonyl]benzene
- IUPAC
- 2-chloro-1-fluoro-4-[(3-fluorophenyl)methylsulfonyl]benzene
Names & synonyms
2-chloro-1-fluoro-4-[(3-fluorobenzyl)sulfonyl]benzene934242-04-3SCHEMBL4196824AQPJAMIVSLFSKG-UHFFFAOYSA-NDB-330024
Database identifiers
- PubChem CID
- 68951502
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Related reactions
2 records
Compound notes
Loading…