Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(Oc2cc(F)ccc2CC(=O)O)c(Cl)c1- InChIKey
FMXTZIBNBVDKCG-UHFFFAOYSA-N- Molecular formula
- C15H12ClFO5S
- Average molar mass
- 358.8 g/mol
- Monoisotopic mass
- 358.0078005
Names & identifiers
- Preferred name
- {2-[2-Chloro-4-(methylsulfonyl)phenoxy]-4-fluorophenyl}acetic acid
- IUPAC
- 2-[2-(2-chloro-4-methylsulfonylphenoxy)-4-fluorophenyl]acetic acid
Names & synonyms
SCHEMBL2397557FMXTZIBNBVDKCG-UHFFFAOYSA-N{2-[2-chloro-4-(methylsulfonyl)phenoxy]-4-fluorophenyl}acetic acid
Database identifiers
- PubChem CID
- 11660456
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 520
Related reactions
1 records
Compound notes
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