Home Sulfos 3-[(Ethanesulfonyl)methyl]benzonitrile

3-[(Ethanesulfonyl)methyl]benzonitrile

CAS No.:
1267212-27-0
Catalog Number:
AG00HRK2
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00HRK2
Chemical Name:
3-[(Ethanesulfonyl)methyl]benzonitrile
CAS Number:
1267212-27-0
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
MDL Number:
MFCD18316292
IUPAC Name:
3-(ethylsulfonylmethyl)benzonitrile
InChI:
InChI=1S/C10H11NO2S/c1-2-14(12,13)8-10-5-3-4-9(6-10)7-11/h3-6H,2,8H2,1H3
InChI Key:
VAOSJHQNSGVYRK-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CS(=O)(=O)CC
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties