AG002B9S

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CAS Number	19806-43-0
Catalog Number	AG002B9S(AGN-PC-0JPUU5)
Chemical Name	2-((2-Nitrophenyl)thio)benzoic acid
IUPAC Name	2-(2-nitrophenyl)sulfanylbenzoic acid
InChI	InChI=1S/C13H9NO4S/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)
InChI Key	SUOKPGGNWNCXQT-UHFFFAOYSA-N
MDL Number	MFCD00204526
Molecular Formula	C13H9NO4S
Molecular Weight	275.2799
NSC Number	658183
SMILES	O=C(O)C1=CC=CC=C1SC2=CC=CC=C2[N+]([O-])=O
Synonyms	19806-43-0, 2-((2-Nitrophenyl)thio)benzoic acid, NSC658183, 2-[(2-nitrophenyl)sulfanyl]benzoic acid, Benzoic acid, 2-[(2-nitrophenyl)thio]-, 2-(2-nitrophenyl)sulfanylbenzoic acid, 2-[(2-nitrophenyl)thio]benzoic acid, AC1L8CU6, Oprea1_585623, AC1Q214Y, SCHEMBL2028311, CHEMBL2003980, CTK0E0649, DTXSID00327466, SUOKPGGNWNCXQT-UHFFFAOYSA-N, 2-(2-nitrophenylthio)benzoic acid, ZINC133959, AKOS000167041, MCULE-8538578206, NSC-658183, 2-(2-Nitro-phenylsulfanyl)-benzoic acid, AJ-12203, NCI60_020342, 2-((2-(Hydroxy(oxido)amino)phenyl)thio)benzoic acid, Z31239048, 2-((2-Nitrophenyl)thio)benzoicacid, CID376978,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.025g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	275.278g/mol
Monoisotopic Mass	275.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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