Home Sulfos 2,4-Dimethanesulfonylbenzonitrile

2,4-Dimethanesulfonylbenzonitrile

CAS No.:
1951441-77-2
Catalog Number:
AG00I3A6
Molecular Formula:
C9H9NO4S2
Molecular Weight:
259.3021
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$169
- +
5g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00I3A6
Chemical Name:
2,4-Dimethanesulfonylbenzonitrile
CAS Number:
1951441-77-2
Molecular Formula:
C9H9NO4S2
Molecular Weight:
259.3021
MDL Number:
MFCD29764399
IUPAC Name:
2,4-bis(methylsulfonyl)benzonitrile
InChI:
InChI=1S/C9H9NO4S2/c1-15(11,12)8-4-3-7(6-10)9(5-8)16(2,13)14/h3-5H,1-2H3
InChI Key:
KGNUKUKFQQWIAQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Properties
Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.997g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.294g/mol
Monoisotopic Mass:
258.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties