AG01C3PS

Name: 3-Difluoromethanesulfonylbenzoic Acid
Brand: Angene Chemical
SKU: AG01C3PS

4837-21-2 | 3-Difluoromethanesulfonylbenzoic Acid

AG01C3PS

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CAS Number	4837-21-2
Catalog Number	AG01C3PS
Chemical Name	3-Difluoromethanesulfonylbenzoic Acid
IUPAC Name	3-(difluoromethylsulfonyl)benzoic acid
InChI	InChI=1S/C8H6F2O4S/c9-8(10)15(13,14)6-3-1-2-5(4-6)7(11)12/h1-4,8H,(H,11,12)
InChI Key	OCIOKKBXUYPEOV-UHFFFAOYSA-N
MDL Number	MFCD00656648
Molecular Formula	C8H6F2O4S
Molecular Weight	236.1926
SMILES	FC(S(=O)(=O)C=1C=C(C(=O)O)C=CC1)F
Synonyms	3-difluoromethanesulfonylbenzoic acid, 4837-21-2, ZINC69977792, AKOS013484415, Z2350907305,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.995g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.189g/mol
Monoisotopic Mass	235.995g/mol
Rotatable Bond Count	3
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