AG00IACG

Name: 3-METHANESULFONYL-5-NITROBENZOIC ACID
Brand: Angene Chemical
SKU: AG00IACG

58123-66-3 | 3-METHANESULFONYL-5-NITROBENZOIC ACID

AG00IACG

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COA

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CAS Number	58123-66-3
Catalog Number	AG00IACG(AGN-PC-03OPNZ)
Chemical Name	3-METHANESULFONYL-5-NITROBENZOIC ACID
IUPAC Name	3-methylsulfonyl-5-nitrobenzoic acid
InChI	InChI=1S/C8H7NO6S/c1-16(14,15)7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key	ZZNYBVMFYCWKIZ-UHFFFAOYSA-N
MDL Number	MFCD12173027
Molecular Formula	C8H7NO6S
Molecular Weight	245.2093
SMILES	O=C(O)C1=CC([N+]([O-])=O)=CC(S(=O)(C)=O)=C1
Synonyms	3-methanesulfonyl-5-nitrobenzoic acid, 58123-66-3, 3-(methylsulfonyl)-5-nitrobenzoic acid, 3-Methylsulfonyl-5-nitrobenzoic acid, AC1Q4GGS, SCHEMBL1172249, CTK7I6707, ZZNYBVMFYCWKIZ-UHFFFAOYSA-N, MFCD12173027, STL370522, ZINC35333682, 3-Methylsulfonyl-5-nitro-benzoic acid, AKOS008132611, MCULE-9905315760, NE19198, 3-(methylsulfonyl)-5-nitro-benzoic acid, AJ-91334, AS-40398, Benzoic acid, 3-(methylsulfonyl)-5-nitro-, EN300-55198, Z1258992380,

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	0.5

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