3-[2-[2-Chloro-4-(methylsulfonyl)phenoxy]-4-(trifluoromethyl)phenyl]propanoic acid

HCID 11625977
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Basic information

Standard SMILES
CS(=O)(=O)c1ccc(Oc2cc(C(F)(F)F)ccc2CCC(=O)O)c(Cl)c1
InChIKey
JJDXGUHYKIKHAT-UHFFFAOYSA-N
Molecular formula
C17H14ClF3O5S
Average molar mass
422.8 g/mol
Monoisotopic mass
422.0202569

Names & identifiers

Preferred name
3-[2-[2-Chloro-4-(methylsulfonyl)phenoxy]-4-(trifluoromethyl)phenyl]propanoic acid
IUPAC
3-[2-(2-chloro-4-methylsulfonylphenoxy)-4-(trifluoromethyl)phenyl]propanoic acid

Names & synonyms

3-[2-[2-Chloro-4-(methylsulfonyl)phenoxy]-4-(trifluoromethyl)phenyl]propanoic acidSCHEMBL2396297

Database identifiers

PubChem CID
11625977

Properties

Computed structural properties

XLogP
4
Topological polar surface area
89.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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