AG01A2CV

Name: 3-(Chlorosulfonyl)-2,6-dimethylbenzoic acid
Brand: Angene Chemical
SKU: AG01A2CV

866358-15-8 | 3-(Chlorosulfonyl)-2,6-dimethylbenzoic acid

AG01A2CV

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CAS Number	866358-15-8
Catalog Number	AG01A2CV(AGN-PC-022H0Y)
Chemical Name	3-(Chlorosulfonyl)-2,6-dimethylbenzoic acid
IUPAC Name	3-chlorosulfonyl-2,6-dimethylbenzoic acid
InChI	InChI=1S/C9H9ClO4S/c1-5-3-4-7(15(10,13)14)6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key	DCYJDJUIRUWRNJ-UHFFFAOYSA-N
MDL Number	MFCD16817589
Molecular Formula	C9H9ClO4S
Molecular Weight	248.6834
SMILES	CC1=C(C(O)=O)C(C)=C(S(Cl)(=O)=O)C=C1
Synonyms	3-(chlorosulfonyl)-2,6-dimethylbenzoic acid, 866358-15-8, 2,6-Dimethyl-5-(chlorosulfonyl)benzoic acid, SCHEMBL3530146, DCYJDJUIRUWRNJ-UHFFFAOYSA-N, AKOS006336260, ZINC100461165, NE20918, 2,6-Dimethyl-3-(chlorosulfonyl)benzoic acid, Benzoic acid, 3-(chlorosulfonyl)-2,6-dimethyl-,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.991g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.677g/mol
Monoisotopic Mass	247.991g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited