AG01AUD8

Name: 3-trifluoromethanesulfonylbenzonitrile
Brand: Angene Chemical
SKU: AG01AUD8

1274903-99-9 | 3-trifluoromethanesulfonylbenzonitrile

AG01AUD8

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CAS Number	1274903-99-9
Catalog Number	AG01AUD8
Chemical Name	3-trifluoromethanesulfonylbenzonitrile
IUPAC Name	3-(trifluoromethylsulfonyl)benzonitrile
InChI	InChI=1S/C8H4F3NO2S/c9-8(10,11)15(13,14)7-3-1-2-6(4-7)5-12/h1-4H
InChI Key	WXMJEHMFHQKWFX-UHFFFAOYSA-N
MDL Number	MFCD25460328
Molecular Formula	C8H4F3NO2S
Molecular Weight	235.1831
SMILES	FC(S(C1=CC(C#N)=CC=C1)(=O)=O)(F)F
Synonyms	3-(Trifluoromethylsulphonyl)benzonitrile, 1274903-99-9, MFCD25460328, ZINC91252804, 3-(Trifluoromethylsulfonyl)benzonitrile, PS-11257, 3-TRIFLUOROMETHANESULFONYLBENZONITRILE,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.991g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.18g/mol
Monoisotopic Mass	234.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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