AG00ACZI

Name: 3-Fluoro-4-(methylsulfonyl)benzonitrile
Brand: Angene Chemical
SKU: AG00ACZI

185946-05-8 | 3-Fluoro-4-(methylsulfonyl)benzonitrile

AG00ACZI

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CAS Number	185946-05-8
Catalog Number	AG00ACZI(AGN-PC-07TCVG)
Chemical Name	3-Fluoro-4-(methylsulfonyl)benzonitrile
IUPAC Name	3-fluoro-4-methylsulfonylbenzonitrile
InChI	InChI=1S/C8H6FNO2S/c1-13(11,12)8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI Key	SQGBJSGRIDYZHC-UHFFFAOYSA-N
MDL Number	MFCD12922838
Molecular Formula	C8H6FNO2S
Molecular Weight	199.2021
SMILES	CS(C1=C(F)C=C(C#N)C=C1)(=O)=O
Synonyms	185946-05-8, 3-Fluoro-4-(methylsulfonyl)benzonitrile, 3-fluoro-4-methanesulfonylbenzonitrile, 3-Fluoro-4-(methylsulphonyl)benzonitrile, 3-Fluoro-4-(methanesulfonyl)benzonitrile, SCHEMBL6112976, CTK7C7553, KS-00003QVW, DTXSID90672896, MFCD12922838, SBB092442, ZINC71372509, AKOS022183277, 4-Cyano-2-fluorophenyl methyl sulphone, NE57204, PS-6750, SY030785, AJ-118007, DB-065550, FT-0744352, 3-fluoro-4-(methylsulfonyl)benzenecarbonitrile, EN300-85851, Z1259162090,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	199.199g/mol
Monoisotopic Mass	199.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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