Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(F)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1- InChIKey
KCJQHDUQYTVWEZ-UHFFFAOYSA-N- Molecular formula
- C17H12ClFO5S
- Average molar mass
- 382.8 g/mol
Names & identifiers
- Preferred name
- (4-Chloro-2-{[2-fluoro-5-(methylsulfonyl)phenyl]ethynyl}phenoxy)acetic acid
- IUPAC
- 2-[4-chloro-2-[2-(2-fluoro-5-methylsulfonylphenyl)ethynyl]phenoxy]acetic acid
Names & synonyms
CHEMBL1917579SCHEMBL1370306KCJQHDUQYTVWEZ-UHFFFAOYSA-NBDBM50356664(4-chloro-2-{[2-fluoro-5-(methylsulfonyl)phenyl]ethynyl}phenoxy)acetic acid
Database identifiers
- PubChem CID
- 56594648
- ChEMBL
CHEMBL1917579
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 647
Related reactions
1 records
Compound notes
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