AG019X5H

Name: 2-(4-Nitrobenzenesulfinyl)acetic acid
Brand: Angene Chemical
SKU: AG019X5H

3406-71-1 | 2-(4-Nitrobenzenesulfinyl)acetic acid

AG019X5H

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COA

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CAS Number	3406-71-1
Catalog Number	AG019X5H(AGN-PC-001EVX)
Chemical Name	2-(4-Nitrobenzenesulfinyl)acetic acid
IUPAC Name	2-(4-nitrophenyl)sulfinylacetic acid
InChI	InChI=1S/C8H7NO5S/c10-8(11)5-15(14)7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)
InChI Key	QPJSCXVOHBMWNG-UHFFFAOYSA-N
MDL Number	MFCD13196003
Molecular Formula	C8H7NO5S
Molecular Weight	229.2099
SMILES	OC(CS(C1=CC=C([N+]([O-])=O)C=C1)=O)=O
Synonyms	2-(4-nitrobenzenesulfinyl)acetic acid, 3406-71-1, 2-[(4-nitrobenzene)sulfinyl]acetic acid, 4-Nitrophenylsulfinylacetic acid, AC1Q7692, AKOS010556105, MCULE-9097643391, NE53943, EN300-54091, Z815264296, 2-((4-nitrophenyl)sulfinyl)acetic acid,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.004g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.206g/mol
Monoisotopic Mass	229.004g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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