3-(2-Chloro-alpha,alpha,alpha-trifluoro-4-tolyloxy)-benzoic acid

HCID 19828811
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Basic information

Standard SMILES
O=C(O)c1cccc(Oc2ccc(C(F)(F)F)c(Cl)c2)c1
InChIKey
ANFHXXZCSPXIFE-UHFFFAOYSA-N
Molecular formula
C14H8ClF3O3
Average molar mass
316.66 g/mol
Monoisotopic mass
316.0114063

Names & identifiers

Preferred name
3-(2-Chloro-alpha,alpha,alpha-trifluoro-4-tolyloxy)-benzoic acid
IUPAC
3-[3-chloro-4-(trifluoromethyl)phenoxy]benzoic acid

Names & synonyms

3-(2-chloro-alpha,alpha,alpha-trifluoro-4-tolyloxy)-benzoic acidSCHEMBL9788474

Database identifiers

PubChem CID
19828811

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
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Compound notes

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