Home Sulfos 4-Methanesulfonyl-3-methylbenzonitrile

4-Methanesulfonyl-3-methylbenzonitrile

CAS No.:
1820608-05-6
Catalog Number:
AG00I0HS
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00I0HS
Chemical Name:
4-Methanesulfonyl-3-methylbenzonitrile
CAS Number:
1820608-05-6
Molecular Formula:
C9H9NO2S
Molecular Weight:
195.2383
MDL Number:
MFCD27981301
IUPAC Name:
3-methyl-4-methylsulfonylbenzonitrile
InChI:
InChI=1S/C9H9NO2S/c1-7-5-8(6-10)3-4-9(7)13(2,11)12/h3-5H,1-2H3
InChI Key:
RHHUGUBSIDVXEI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)S(=O)(=O)C
Properties
Complexity:
319  
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:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties