AG008LC5

Name: 4-methylsulfonyl-3-nitro-benzoic acid
Brand: Angene Chemical
SKU: AG008LC5

81029-08-5 | 4-methylsulfonyl-3-nitro-benzoic acid

AG008LC5

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CAS Number	81029-08-5
Catalog Number	AG008LC5(AGN-PC-0KK01P)
Chemical Name	4-methylsulfonyl-3-nitro-benzoic acid
EC Number	279-676-6
IUPAC Name	4-methylsulfonyl-3-nitrobenzoic acid
InChI	InChI=1S/C8H7NO6S/c1-16(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key	MZIWQSVCXANUIX-UHFFFAOYSA-N
MDL Number	MFCD00025071
Molecular Formula	C8H7NO6S
Molecular Weight	245.2093
SMILES	CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonyms	81029-08-5, 4-Methanesulfonyl-3-nitro-benzoic acid, 4-methylsulfonyl-3-nitrobenzoic acid, 4-(methylsulfonyl)-3-nitrobenzoic acid, 4-methanesulfonyl-3-nitrobenzoic acid, 4-methylsulfonyl-3-nitro-benzoic acid, 4-(Methylsulphonyl)-3-nitrobenzoic acid, EINECS 279-676-6, AC1Q4GFZ, AC1MC3S6, Oprea1_254335, SCHEMBL3530451, CTK3E9915, MZIWQSVCXANUIX-UHFFFAOYSA-N, ZINC3886201, 3-nitro-4-methylsulfonylbenzoic acid, MFCD00025071, STL306661, 4-methylsulfonyl-3-nitro benzoic acid, AKOS000118703, MCULE-8760241236, NE50208, 4-(Methylsulfonyl)-3-nitro-benzoic acid, V7839, EN300-05068, J-513774, Z56764100, C8H7NO6S, C8-H7-N-O6-S, CID2723871,

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