AG000S97

Name: 3-(4-Methylthiophenyl)-5-nitrobenzoic Acid
Brand: Angene Chemical
SKU: AG000S97

1261966-64-6 | 3-(4-Methylthiophenyl)-5-nitrobenzoic Acid

AG000S97

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CAS Number	1261966-64-6
Catalog Number	AG000S97(AGN-PC-0WR6C6)
Chemical Name	3-(4-Methylthiophenyl)-5-nitrobenzoic Acid
IUPAC Name	3-(4-methylsulfanylphenyl)-5-nitrobenzoic acid
InChI	InChI=1S/C14H11NO4S/c1-20-13-4-2-9(3-5-13)10-6-11(14(16)17)8-12(7-10)15(18)19/h2-8H,1H3,(H,16,17)
InChI Key	CZCWYKIVZZCALR-UHFFFAOYSA-N
MDL Number	MFCD18320542
Molecular Formula	C14H11NO4S
Molecular Weight	289.3064
SMILES	CSc1ccc(cc1)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Synonyms	1261966-64-6, 3-(4-METHYLTHIOPHENYL)-5-NITROBENZOIC ACID, 4'-(Methylthio)-5-nitro-[1,1'-biphenyl]-3-carboxylic acid, MFCD18320542, ZINC95495185, Z9233, B-6977, [1,1'-Biphenyl]-3-carboxylic acid, 4'-(methylthio)-5-nitro-, C14H11NO4S, 3-(4-methylthiophen-2-yl)-5-nitrobenzoic acid,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.041g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	289.305g/mol
Monoisotopic Mass	289.041g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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