Home Nitriles 4-Fluoro-3-(methylsulphonyl)benzonitrile

4-Fluoro-3-(methylsulphonyl)benzonitrile

CAS No.:
914636-47-8
Catalog Number:
AG00IGPM
Molecular Formula:
C8H6FNO2S
Molecular Weight:
199.2021
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$78
- +
250mg
95%
In Stock USA
United States
$155
- +
Product Description
Catalog Number:
AG00IGPM
Chemical Name:
4-Fluoro-3-(methylsulphonyl)benzonitrile
CAS Number:
914636-47-8
Molecular Formula:
C8H6FNO2S
Molecular Weight:
199.2021
MDL Number:
MFCD08458081
IUPAC Name:
4-fluoro-3-methylsulfonylbenzonitrile
InChI:
InChI=1S/C8H6FNO2S/c1-13(11,12)8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
InChI Key:
JMZCNAGTOOCXAF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)S(=O)(=O)C)F
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.199g/mol
Monoisotopic Mass:
199.01g/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