AG01AGOR

Name: 3-Phenylmethanesulfonylbenzoic acid
Brand: Angene Chemical
SKU: AG01AGOR

28198-29-0 | 3-Phenylmethanesulfonylbenzoic acid

AG01AGOR

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CAS Number	28198-29-0
Catalog Number	AG01AGOR
Chemical Name	3-Phenylmethanesulfonylbenzoic acid
IUPAC Name	3-benzylsulfonylbenzoic acid
InChI	InChI=1S/C14H12O4S/c15-14(16)12-7-4-8-13(9-12)19(17,18)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)
InChI Key	WLBNVHKERLQFBI-UHFFFAOYSA-N
MDL Number	MFCD12462807
Molecular Formula	C14H12O4S
Molecular Weight	276.3077
SMILES	OC(C1=CC(S(CC2=CC=CC=C2)(=O)=O)=CC=C1)=O
Synonyms	3-phenylmethanesulfonylbenzoic acid, 28198-29-0, 3-(phenylmethane)sulfonylbenzoic acid, AC1Q72TT, SCHEMBL15821248, ZINC34402226, AKOS009307888, MCULE-4557914177, NE30354, EN300-72459, Z1250076580, 3-Phenylmethanesulfonyl-benzoic acid,

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	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