AG00I3A2

Name: 4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile
Brand: Angene Chemical
SKU: AG00I3A2

1951441-73-8 | 4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile

AG00I3A2

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CAS Number	1951441-73-8
Catalog Number	AG00I3A2(AGN-PC-0WP1T0)
Chemical Name	4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile
IUPAC Name	4-methylsulfonyl-2-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C9H6F3NO2S/c1-16(14,15)7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4H,1H3
InChI Key	GIZDLYRVBVGYPN-UHFFFAOYSA-N
MDL Number	MFCD29764394
Molecular Formula	C9H6F3NO2S
Molecular Weight	249.2096
SMILES	N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C
Synonyms	1951441-73-8, 4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile, 4-(Methylsulfonyl)-2-(trifluoromethyl)benzonitrile, SCHEMBL13211348, AKOS027368737, ZINC200431172,

Complexity	401
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.007g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	249.207g/mol
Monoisotopic Mass	249.007g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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