Home Sulfos 3-(Methanesulfonylmethyl)benzonitrile

3-(Methanesulfonylmethyl)benzonitrile

CAS No.:
261924-51-0
Catalog Number:
AG00I4ZN
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00I4ZN
Chemical Name:
3-(Methanesulfonylmethyl)benzonitrile
CAS Number:
261924-51-0
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD19257809
IUPAC Name:
3-(methylsulfonylmethyl)benzonitrile
InChI:
InChI=1S/C9H9NO2S/c1-13(11,12)7-9-4-2-3-8(5-9)6-10/h2-5H,7H2,1H3
InChI Key:
BOOPGNSXYSIGKU-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CS(=O)(=O)C
Properties
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:
0.9  
Properties