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CAS Number: 845616-82-2
(S)-5-(methylsulfonyl)-2-((1,1,1-trifluoropropan-2-yl)oxy)benzoic acid

Structure

 (S)-5-(methylsulfonyl)-2-((1,1,1-trifluoropropan-2-yl)oxy)benzoic acid
Name: (S)-5-(methylsulfonyl)-2-((1,1,1-trifluoropropan-2-yl)oxy)benzoic acid
Synonyms:
General Information
Product Number: 845616822

CAS Registry Number 845616-82-2
Name:
Benzoic acid, 5-?(methylsulfonyl)?-?2-?[(1S)?-?2,?2,?2-?trifluoro-?1-?methylethoxy]?-
(S)-2-(1-Methyl-2,2,2-trifluoroethoxy)-5-methylsulfonylbenzoic acid
(S)-5-(Methanesulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid
5-Methylsulfonyl-2-[((S)-2,2,2-trifluoro-1-methylethyl)oxy]benzoic acid

 

Chemical Formula: C11H11F3O5S
Exact Mass: 312.03
Molecular Weight: 312.26
m/z: 312.03 (100.0%), 313.03 (13.0%), 314.02 (4.5%), 314.03 (1.8%)

 

InChI:InChI=1S/C11H11F3O5S/c1-6(11(12,13)14)19-9-4-3-7(20(2,17)18)5-8(9)10(15)16/h3-6H,1-2H3,(H,15,16)/t6-/m0/s1

InChI Key:KAFINIUNMPCGFL-LURJTMIESA-N

Canonical SMILES:CC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O

Specification

98%
References

(1) Pinard, Emmanuel; Journal of Medicinal Chemistry 2010, V53(12), P4603-4614 CAPLUS
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