AG006Z0W

Name: 2-(Benzylsulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG006Z0W

13536-21-5 | 2-(Benzylsulfonyl)benzoic acid

AG006Z0W

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CAS Number	13536-21-5
Catalog Number	AG006Z0W(AGN-PC-0WB4SK)
Chemical Name	2-(Benzylsulfonyl)benzoic acid
IUPAC Name	2-benzylsulfonylbenzoic acid
InChI	InChI=1S/C14H12O4S/c15-14(16)12-8-4-5-9-13(12)19(17,18)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChI Key	GMVRFXQEJYYRMJ-UHFFFAOYSA-N
MDL Number	MFCD02625844
Molecular Formula	C14H12O4S
Molecular Weight	276.3077
SMILES	S(=O)(=O)(CC1C=CC=CC=1)C1C=CC=CC=1C(O)=O
Synonyms	2-(Benzylsulfonyl)benzoic acid, 13536-21-5, 2-[benzylsulfonyl]benzoic acid, AC1LBOBU, 2-benzylsulfonylbenzoic acid, Cambridge id 7119143, MLS000089934, SCHEMBL312941, CHEMBL1534480, Benzoic acid, 2-benzylsulfonyl-, CTK4B9786, DTXSID90340088, 2-(Benzylsulfonyl)benzoic acid #, GMVRFXQEJYYRMJ-UHFFFAOYSA-N, HMS2472B24, ZINC129652, ZERO/006291, ZX-CM017245, MFCD02625844, SBB014006, STK663641, AKOS000193716, CCG-110495, MCULE-3079728201, SEL10409451, NCGC00044199-02, AJ-12091, SMR000024552, ST038067, 2-(benzylsulfonyl)benzoic acid, AldrichCPR, W-9504, AB00404608-09, AG-205/40650392, SR-01000479467, SR-01000479467-1, CID561426,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.046g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.306g/mol
Monoisotopic Mass	276.046g/mol
Rotatable Bond Count	4
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