Home Sulfos 2-(3-Methanesulfonylphenyl)acetonitrile

2-(3-Methanesulfonylphenyl)acetonitrile

CAS No.:
936482-57-4
Catalog Number:
AG00IHPX
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$219
- +
5g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00IHPX
Chemical Name:
2-(3-Methanesulfonylphenyl)acetonitrile
CAS Number:
936482-57-4
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD27933709
IUPAC Name:
2-(3-methylsulfonylphenyl)acetonitrile
InChI:
InChI=1S/C9H9NO2S/c1-13(11,12)9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3
InChI Key:
IPVGUJXVEIJIDI-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)S(=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:
0.3  
Properties