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Home Sulfos 4-(Methylsulfonyl) phenylacetonitrile

4-(Methylsulfonyl) phenylacetonitrile

CAS No.:
25025-07-4
Catalog Number:
AG006XQG
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$92
- +
5g
98%
In Stock USA
United States
$289
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG006XQG
Chemical Name:
4-(Methylsulfonyl) phenylacetonitrile
CAS Number:
25025-07-4
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD00079775
IUPAC Name:
2-(4-methylsulfonylphenyl)acetonitrile
InChI:
InChI=1S/C9H9NO2S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3
InChI Key:
SFWFEBXQACRQMF-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
298  
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:
1.1  
Literature
Title Journal
2-[4-(Methyl-sulfon-yl)phen-yl]acetonitrile. Acta crystallographica. Section E, Structure reports online 20110301
Properties