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CAS Number: 185945-88-4
3-fluoro-4-(methylsulfonyl)benzoic acid

Structure

3-fluoro-4-(methylsulfonyl)benzoic acid
Name: 3-fluoro-4-(methylsulfonyl)benzoic acid
Synonyms:
General Information
Product Number: 185945884

CAS Registry Number 185945-88-4
Name:
Benzoic acid, 3-​fluoro-​4-​(methylsulfonyl)​-
3-Fluoro-4-methylsulfonylbenzoic 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)7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)

InChI Key:QJHFDGZWRWQZCR-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2014), WO 2014031012 A1 20140227.

PCT Int. Appl. (2012), WO 2012125613 A1 20120920. 

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