AG009WS6

Name: 3-Methanesulfonyl-4-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG009WS6

1415819-84-9 | 3-Methanesulfonyl-4-nitrobenzoic acid

AG009WS6

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CAS Number	1415819-84-9
Catalog Number	AG009WS6(AGN-PC-0WA8S0)
Chemical Name	3-Methanesulfonyl-4-nitrobenzoic acid
IUPAC Name	3-methylsulfonyl-4-nitrobenzoic acid
InChI	InChI=1S/C8H7NO6S/c1-16(14,15)7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key	MXGMNAUBXXGJMP-UHFFFAOYSA-N
MDL Number	MFCD22586685
Molecular Formula	C8H7NO6S
Molecular Weight	245.2093
SMILES	[O-][N+](=O)c1ccc(cc1S(=O)(=O)C)C(=O)O
Synonyms	3-Methanesulfonyl-4-nitrobenzoic acid, 1415819-84-9, SCHEMBL18113472, ZINC95217923, V3113, C8H7NO6S,

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	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