AG00I0HS

Name: 4-Methanesulfonyl-3-methylbenzonitrile
Brand: Angene Chemical
SKU: AG00I0HS

1820608-05-6 | 4-Methanesulfonyl-3-methylbenzonitrile

AG00I0HS

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CAS Number	1820608-05-6
Catalog Number	AG00I0HS
Chemical Name	4-Methanesulfonyl-3-methylbenzonitrile
IUPAC Name	3-methyl-4-methylsulfonylbenzonitrile
InChI	InChI=1S/C9H9NO2S/c1-7-5-8(6-10)3-4-9(7)13(2,11)12/h3-5H,1-2H3
InChI Key	RHHUGUBSIDVXEI-UHFFFAOYSA-N
MDL Number	MFCD27981301
Molecular Formula	C9H9NO2S
Molecular Weight	195.2383
SMILES	N#Cc1ccc(c(c1)C)S(=O)(=O)C
Synonyms	1820608-05-6, 3-Methyl-4-(methylsulfonyl)benzonitrile, 4-METHANESULFONYL-3-METHYLBENZONITRILE, SCHEMBL12966141, ZINC97756627,

Complexity	319
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	1
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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