Home Sulfos 4-(Methylsulfonyl)benzonitrile

4-(Methylsulfonyl)benzonitrile

CAS No.:
22821-76-7
Catalog Number:
AG003K9B
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$13
- +
5g
97%
In Stock USA
United States
$25
- +
25g
97%
In Stock USA
United States
$75
- +
100g
97%
In Stock USA
United States
$263
- +
500g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG003K9B
Chemical Name:
4-(Methylsulfonyl)benzonitrile
CAS Number:
22821-76-7
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD00216489
IUPAC Name:
4-methylsulfonylbenzonitrile
InChI:
InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChI Key:
FARXIDYHJAANGP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties