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CAS Number: 126535-26-0
methyl 2-(chlorosulfonyl)-3-methylbenzoate

Structure

methyl 2-(chlorosulfonyl)-3-methylbenzoate
Name: methyl 2-(chlorosulfonyl)-3-methylbenzoate
Synonyms:
General Information
Product Number: 126535260

CAS Registry Number 126535-26-0
Name:
Benzoic acid, 2-​(chlorosulfonyl)​-​3-​methyl-​, methyl ester

 

Chemical Formula: C9H9ClO4S
Exact Mass: 247.99
Molecular Weight: 248.68
m/z: 247.99 (100.0%), 249.99 (36.6%), 248.99 (10.5%), 250.99 (3.9%), 251.98 (1.4%), 250.00 (1.3%)

 

InChI:InChI=1S/C9H9ClO4S/c1-6-4-3-5-7(9(11)14-2)8(6)15(10,12)13/h3-5H,1-2H3

InChI Key:YZNFOAXNTIGWQG-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=CC(=C1S(=O)(=O)Cl)C(=O)OC

Specification

98%

References

PCT Int. Appl. (2010), WO 2010130665 A1 20101118.                                  

PCT Int. Appl. (1989), WO 8909214 A1 19891005.

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