AG00F762

Name: 4-(Methylthio)-3-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG00F762

64399-24-2 | 4-(Methylthio)-3-nitrobenzoic acid

AG00F762

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CAS Number	64399-24-2
Catalog Number	AG00F762(AGN-PC-0JSM5A)
Chemical Name	4-(Methylthio)-3-nitrobenzoic acid
IUPAC Name	4-methylsulfanyl-3-nitrobenzoic acid
InChI	InChI=1S/C8H7NO4S/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key	BPZVSOOQLVSCDF-UHFFFAOYSA-N
MDL Number	MFCD00156988
Molecular Formula	C8H7NO4S
Molecular Weight	213.2105
SMILES	O=C(O)C1=CC=C(SC)C([N+]([O-])=O)=C1
Synonyms	4-(Methylthio)-3-Nitrobenzoic Acid, 64399-24-2, 4-(Methylsulfanyl)-3-nitrobenzoic acid, 4-Methylthio-3-nitrobenzoic acid, BPZVSOOQLVSCDF-UHFFFAOYSA-N, 4-methylsulfanyl-3-nitrobenzoic acid, Benzoic acid, 4-(methylthio)-3-nitro-, AC1LBUR3, AC1Q4GVU, AC1Q4GZ4, AC1Q4GZ5, SCHEMBL3866808, CTK5C1196, ZINC2616116, 3-Nitro-4-(methylthio)benzoic acid, MFCD00156988, 4-Methylsulfanyl-3-nitro-benzoic acid, AKOS001434378, Benzoic acid,4-(methylthio)-3-nitro-, MCULE-8018254984, NE34150, 4-(Methylsulfanyl)-3-nitrobenzoic acid #, FT-0766889, EN300-08950, 4- -3-NITROBENZOICACID, CID542531,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	213.207g/mol
Monoisotopic Mass	213.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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