3-Chlorobiphenyl-4-yl trifluoromethanesulfonate

HCID 18001079
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Basic information

Standard SMILES
O=S(=O)(Oc1ccc(-c2ccccc2)cc1Cl)C(F)(F)F
InChIKey
FOQBYJLXXZJXLO-UHFFFAOYSA-N
Molecular formula
C13H8ClF3O3S
Average molar mass
336.71 g/mol

Names & identifiers

Preferred name
3-Chlorobiphenyl-4-yl trifluoromethanesulfonate
IUPAC
(2-chloro-4-phenylphenyl) trifluoromethanesulfonate

Names & synonyms

3-chlorobiphenyl-4-yl trifluoromethanesulfonateSCHEMBL38579624-phenyl-2-chloro-1-trifluoromethylsulfonyloxybenzeneTrifluoromethanesulfonic Acid 3-chlorobiphenyl-4-yl Ester

Database identifiers

PubChem CID
18001079

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
51.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
21

Related reactions

8 records
New reaction record

Compound notes

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