AG00I4T3

Name: 2-(Methanesulfonylmethyl)benzonitrile
Brand: Angene Chemical
SKU: AG00I4T3

25195-58-8 | 2-(Methanesulfonylmethyl)benzonitrile

AG00I4T3

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CAS Number	25195-58-8
Catalog Number	AG00I4T3(AGN-PC-0WOHN2)
Chemical Name	2-(Methanesulfonylmethyl)benzonitrile
IUPAC Name	2-(methylsulfonylmethyl)benzonitrile
InChI	InChI=1S/C9H9NO2S/c1-13(11,12)7-9-5-3-2-4-8(9)6-10/h2-5H,7H2,1H3
InChI Key	ROLLMIFDFXORKC-UHFFFAOYSA-N
MDL Number	MFCD19257810
Molecular Formula	C9H9NO2S
Molecular Weight	195.2383
SMILES	N#Cc1ccccc1CS(=O)(=O)C
Synonyms	2-(Methanesulfonylmethyl)benzonitrile, 25195-58-8, SCHEMBL515075, ZINC58239249, AKOS009471755, Benzonitrile, 2-[(methylsulfonyl)methyl]-, 2-[(methylsulfonyl)methyl]Benzonitrile,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.236g/mol
Monoisotopic Mass	195.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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