4-Chloro-2-[4-(methylsulfonyl)-2-(trifluoromethyl)phenoxy]-benzeneacetic acid

HCID 11625672
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Basic information

Standard SMILES
CS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2CC(=O)O)c(C(F)(F)F)c1
InChIKey
VJIRREQPSCHBDP-UHFFFAOYSA-N
Molecular formula
C16H12ClF3O5S
Average molar mass
408.8 g/mol

Names & identifiers

Preferred name
4-Chloro-2-[4-(methylsulfonyl)-2-(trifluoromethyl)phenoxy]-benzeneacetic acid
IUPAC
2-[4-chloro-2-[4-methylsulfonyl-2-(trifluoromethyl)phenoxy]phenyl]acetic acid

Names & synonyms

4-chloro-2-[4-(methylsulfonyl)-2-(trifluoromethyl)phenoxy]-benzeneacetic acidSCHEMBL2394875

Database identifiers

PubChem CID
11625672

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
89.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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