AG01AHKZ

Name: 5-(Ethanesulfonyl)-2-fluorobenzoic acid
Brand: Angene Chemical
SKU: AG01AHKZ

898258-55-4 | 5-(Ethanesulfonyl)-2-fluorobenzoic acid

AG01AHKZ

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CAS Number	898258-55-4
Catalog Number	AG01AHKZ
Chemical Name	5-(Ethanesulfonyl)-2-fluorobenzoic acid
IUPAC Name	5-ethylsulfonyl-2-fluorobenzoic acid
InChI	InChI=1S/C9H9FO4S/c1-2-15(13,14)6-3-4-8(10)7(5-6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key	PEGYNVXLVMKJDU-UHFFFAOYSA-N
MDL Number	MFCD11179894
Molecular Formula	C9H9FO4S
Molecular Weight	232.2288
SMILES	CCS(C1=CC(C(O)=O)=C(F)C=C1)(=O)=O
Synonyms	5-(ethanesulfonyl)-2-fluorobenzoic acid, 898258-55-4, 5-Ethanesulfonyl-2-fluoro-benzoic acid, SCHEMBL1937987, PEGYNVXLVMKJDU-UHFFFAOYSA-N, ZINC36893945, AKOS008122247, MCULE-4443751856, NE22865, Benzoic acid, 5-(ethylsulfonyl)-2-fluoro-, EN300-75075,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.021g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.225g/mol
Monoisotopic Mass	232.021g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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