Home Sulfos Benzonitrile, 5-fluoro-2-(methylsulfonyl)-

Benzonitrile, 5-fluoro-2-(methylsulfonyl)-

CAS No.:
1379097-18-3
Catalog Number:
AG00142T
Molecular Formula:
C8H6FNO2S
Molecular Weight:
199.2021
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00142T
Chemical Name:
Benzonitrile, 5-fluoro-2-(methylsulfonyl)-
CAS Number:
1379097-18-3
Molecular Formula:
C8H6FNO2S
Molecular Weight:
199.2021
MDL Number:
MFCD18378491
IUPAC Name:
5-fluoro-2-methylsulfonylbenzonitrile
InChI:
InChI=1S/C8H6FNO2S/c1-13(11,12)8-3-2-7(9)4-6(8)5-10/h2-4H,1H3
InChI Key:
VEHWTBKKGIZKET-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)ccc1S(=O)(=O)C
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