AG006QRG

Name: 4-[(4-Chlorophenyl)Sulfanyl]Benzonitrile
Brand: Angene Chemical
SKU: AG006QRG

96461-81-3 | 4-[(4-Chlorophenyl)Sulfanyl]Benzonitrile

AG006QRG

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CAS Number	96461-81-3
Catalog Number	AG006QRG(AGN-PC-0NC4M1)
Chemical Name	4-[(4-Chlorophenyl)Sulfanyl]Benzonitrile
IUPAC Name	4-(4-chlorophenyl)sulfanylbenzonitrile
InChI	InChI=1S/C13H8ClNS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
InChI Key	CNIPIGLQDBYVPE-UHFFFAOYSA-N
MDL Number	MFCD11118252
Molecular Formula	C13H8ClNS
Molecular Weight	245.7273
SMILES	ClC1=CC=C(SC2=CC=C(C#N)C=C2)C=C1
Synonyms	4-[(4-Chlorophenyl)Sulfanyl]Benzonitrile, 96461-81-3, Benzonitrile, 4-[(4-chlorophenyl)thio]-, CHEMBL2204772, 4-(4-chlorophenylthio)benzonitrile, ACMC-20m0y9, SCHEMBL5788515, CTK3G8542, DTXSID00446904, CNIPIGLQDBYVPE-UHFFFAOYSA-N, BDBM50402241, ZINC20553892, AKOS009093395, MCULE-8917902913, NE25258, 4-(4-chloro-phenylsulfanyl)-benzonitrile, BC658567, EN300-125144, Z196118520, 4-(4-chlorophenyl)sulfanylbenzonitrile, CID10879393,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.007g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.724g/mol
Monoisotopic Mass	245.007g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

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