AG01DVMG

Name: 2-methanesulfonyl-5-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG01DVMG

1549014-66-5 | 2-methanesulfonyl-5-nitrobenzoic acid

AG01DVMG

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CAS Number	1549014-66-5
Catalog Number	AG01DVMG
Chemical Name	2-methanesulfonyl-5-nitrobenzoic acid
IUPAC Name	2-methylsulfonyl-5-nitrobenzoic acid
InChI	InChI=1S/C8H7NO6S/c1-16(14,15)7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key	YJOOIPYEUIHVML-UHFFFAOYSA-N
MDL Number	MFCD26024186
Molecular Formula	C8H7NO6S
Molecular Weight	245.2093
SMILES	CS(C1=C(C(O)=O)C=C([N+]([O-])=O)C=C1)(=O)=O
Synonyms	2-(methylsulfonyl)-5-nitrobenzoic acid, 1549014-66-5, AKOS021557816,

Complexity	392
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.999g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.205g/mol
Monoisotopic Mass	244.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
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