Home Sulfos 3-(Methylsulfonyl)benzonitrile

3-(Methylsulfonyl)benzonitrile

CAS No.:
22821-75-6
Catalog Number:
AG003I8Z
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003I8Z
Chemical Name:
3-(Methylsulfonyl)benzonitrile
CAS Number:
22821-75-6
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD04037969
IUPAC Name:
3-methylsulfonylbenzonitrile
InChI:
InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,1H3
InChI Key:
VWPJXEYDYJQMBC-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)C
Properties
Complexity:
293  
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:
1  
Properties