Home Sulfos Sodium (2-cyanophenyl)methanesulfonate

Sodium (2-cyanophenyl)methanesulfonate

CAS No.:
197311-76-5
Catalog Number:
AG00AQJS
Molecular Formula:
C8H6NNaO3S
Molecular Weight:
219.1929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00AQJS
Chemical Name:
Sodium (2-cyanophenyl)methanesulfonate
CAS Number:
197311-76-5
Molecular Formula:
C8H6NNaO3S
Molecular Weight:
219.1929
MDL Number:
MFCD00024991
IUPAC Name:
sodium;(2-cyanophenyl)methanesulfonate
InChI:
InChI=1S/C8H7NO3S.Na/c9-5-7-3-1-2-4-8(7)6-13(10,11)12;/h1-4H,6H2,(H,10,11,12);/q;+1/p-1
InChI Key:
GEDNNRCEBYWLKO-UHFFFAOYSA-M
SMILES:
N#Cc1ccccc1CS(=O)(=O)[O-].[Na+]
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.997g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.19g/mol
Monoisotopic Mass:
218.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties