Home Sulfos 2-[(Ethanesulfonyl)methyl]benzonitrile

2-[(Ethanesulfonyl)methyl]benzonitrile

CAS No.:
1267101-21-2
Catalog Number:
AG00HRJX
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$232
- +
Product Description
Catalog Number:
AG00HRJX
Chemical Name:
2-[(Ethanesulfonyl)methyl]benzonitrile
CAS Number:
1267101-21-2
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
MDL Number:
MFCD19257799
IUPAC Name:
2-(ethylsulfonylmethyl)benzonitrile
InChI:
InChI=1S/C10H11NO2S/c1-2-14(12,13)8-10-6-4-3-5-9(10)7-11/h3-6H,2,8H2,1H3
InChI Key:
PZXFFZPZUJWNHY-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1CS(=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:
1.2  
Properties