AG00APQT

Name: 2-(Ethylsulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG00APQT

161058-27-1 | 2-(Ethylsulfonyl)benzoic acid

AG00APQT

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CAS Number	161058-27-1
Catalog Number	AG00APQT(AGN-PC-0WBP62)
Chemical Name	2-(Ethylsulfonyl)benzoic acid
IUPAC Name	2-ethylsulfonylbenzoic acid
InChI	InChI=1S/C9H10O4S/c1-2-14(12,13)8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key	AHYZXIUNHHXCHO-UHFFFAOYSA-N
MDL Number	MFCD06655817
Molecular Formula	C9H10O4S
Molecular Weight	214.2383
SMILES	O=C(O)C1=CC=CC=C1S(=O)(CC)=O
Synonyms	2-(ethylsulfonyl)benzoic acid, 161058-27-1, 2-Ethanesulfonyl-benzoic acid, 2-(ethanesulfonyl)benzoic acid, AC1NGPHA, 2-ethylsulfonylbenzoic acid, AC1Q38BL, SCHEMBL5724579, CTK6G4606, benzoic acid, 2-(ethylsulfonyl)-, HMS1698P09, ALBB-009437, ZINC4206494, 5151AD, BBL003711, MFCD06655817, SBB011291, STK288482, AKOS000118468, MCULE-3108831573, BAS 13310038, AB0218593, TR-044753, BB 0259278, R9259, ST45130416, EN300-13365, BRD-K94593444-001-01-8, Z90122119, C9H10O4S, CID4777982,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.03g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.235g/mol
Monoisotopic Mass	214.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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