AG01B29W

Name: 4-Bromo-2-(Methylthio)Benzonitrile
Brand: Angene Chemical
SKU: AG01B29W

1597851-69-8 | 4-Bromo-2-(Methylthio)Benzonitrile

AG01B29W

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CAS Number	1597851-69-8
Catalog Number	AG01B29W
Chemical Name	4-Bromo-2-(Methylthio)Benzonitrile
IUPAC Name	4-bromo-2-methylsulfanylbenzonitrile
InChI	InChI=1S/C8H6BrNS/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChI Key	OQHGMAKAPBUZKK-UHFFFAOYSA-N
MDL Number	MFCD22488923
Molecular Formula	C8H6BrNS
Molecular Weight	228.1089
SMILES	N#CC1=CC=C(Br)C=C1SC
Synonyms	4-bromo-2-(methylsulfanyl)benzonitrile, 1597851-69-8, 4-bromo-2-(methylthio)benzonitrile, AKOS033922749, ZINC162968793, FCH2276112, BBV-46744479, EN300-268276, Z2473347946,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.94g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.107g/mol
Monoisotopic Mass	226.94g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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