Home Sulfos 4-(Methanesulfonylmethyl)benzonitrile

4-(Methanesulfonylmethyl)benzonitrile

CAS No.:
161417-56-7
Catalog Number:
AG00HYO4
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00HYO4
Chemical Name:
4-(Methanesulfonylmethyl)benzonitrile
CAS Number:
161417-56-7
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD15201679
IUPAC Name:
4-(methylsulfonylmethyl)benzonitrile
InChI:
InChI=1S/C9H9NO2S/c1-13(11,12)7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3
InChI Key:
PPHUDPUCEPCGDO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CS(=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:
0.8  
Properties