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CAS Number: 247569-56-8
2-fluoro-5-(methylsulfonyl)benzoic acid

Structure

2-fluoro-5-(methylsulfonyl)benzoic acid
Name: 2-fluoro-5-(methylsulfonyl)benzoic acid
Synonyms:
General Information
Product Number: 247569568

CAS Registry Number 247569-56-8
Name:
Benzoic acid, 2-​fluoro-​5-​(methylsulfonyl)​-
2-Fluoro-5-(methanesulfonyl)benzoic acid
2-Fluoro-5-(methylsulfonyl)benzoic acid

 

Chemical Formula: C8H7FO4S
Exact Mass: 218.00
Molecular Weight: 218.20
m/z: 218.00 (100.0%), 219.01 (8.9%), 220.00 (4.5%), 220.01 (1.2%)

 

InChI:InChI=1S/C8H7FO4S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)

InChI Key:ACBAHAXPEQHVHO-UHFFFAOYSA-N

Canonical SMILES:CS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)O

Specification

98%

References

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

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