AG019CQQ

Name: 4-(difluoromethanesulfonylmethyl)benzoic acid
Brand: Angene Chemical
SKU: AG019CQQ

1000931-60-1 | 4-(difluoromethanesulfonylmethyl)benzoic acid

AG019CQQ

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CAS Number	1000931-60-1
Catalog Number	AG019CQQ(AGN-PC-0WBRZH)
Chemical Name	4-(difluoromethanesulfonylmethyl)benzoic acid
IUPAC Name	4-(difluoromethylsulfonylmethyl)benzoic acid
InChI	InChI=1S/C9H8F2O4S/c10-9(11)16(14,15)5-6-1-3-7(4-2-6)8(12)13/h1-4,9H,5H2,(H,12,13)
InChI Key	YZOQZTRSAIFSCK-UHFFFAOYSA-N
MDL Number	MFCD09863841
Molecular Formula	C9H8F2O4S
Molecular Weight	250.2192
SMILES	OC(C1=CC=C(CS(C(F)F)(=O)=O)C=C1)=O
Synonyms	4-(difluoromethanesulfonylmethyl)benzoic acid, 1000931-60-1, 4-{[(difluoromethyl)sulfonyl]methyl}benzoic acid, 4-(Difluoro-methanesulfonylmethyl)-benzoic acid, AC1Q73AK, CTK7B7622, ZINC12506582, AKOS017344908, MCULE-6165337603, NE22390, EN300-88015, Z360056480,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.011g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	250.216g/mol
Monoisotopic Mass	250.011g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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