AG019NM6

Name: 2-((Cyanomethyl)thio)benzoic acid
Brand: Angene Chemical
SKU: AG019NM6

243984-86-3 | 2-((Cyanomethyl)thio)benzoic acid

AG019NM6

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CAS Number	243984-86-3
Catalog Number	AG019NM6
Chemical Name	2-((Cyanomethyl)thio)benzoic acid
IUPAC Name	2-(cyanomethylsulfanyl)benzoic acid
InChI	InChI=1S/C9H7NO2S/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4H,6H2,(H,11,12)
InChI Key	BGIYVQLKALMPFX-UHFFFAOYSA-N
MDL Number	MFCD06359996
Molecular Formula	C9H7NO2S
Molecular Weight	193.2224
SMILES	OC(C1=C(SCC#N)C=CC=C1)=O
Synonyms	2-[(cyanomethyl)sulfanyl]benzoic acid, 2-[(cyanomethyl)thio]benzoic acid, 243984-86-3, 2-((Cyanomethyl)thio)benzoic acid, 2-(cyanomethylsulfanyl)benzoic Acid, AC1Q73OB, AC1M834H, CTK7D0695, HMS1775E18, ZINC3410593, BBL007467, HTS028145, MFCD06359996, STL145107, AKOS000198885, MCULE-6190273389, NCGC00337672-01, EN300-11170, AB01329154-02, AI-204/05459044, Z57036328, C9H7NO2S, CID2529529, H0006,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.22g/mol
Monoisotopic Mass	193.02g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	86.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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