Home Sulfos 4-(Trifluoromethylsulfonyl)benzonitrile

4-(Trifluoromethylsulfonyl)benzonitrile

CAS No.:
312-21-0
Catalog Number:
AG003KC4
Molecular Formula:
C8H4F3NO2S
Molecular Weight:
235.1831
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$92
- +
5g
95%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG003KC4
Chemical Name:
4-(Trifluoromethylsulfonyl)benzonitrile
CAS Number:
312-21-0
Molecular Formula:
C8H4F3NO2S
Molecular Weight:
235.1831
MDL Number:
MFCD01631631
IUPAC Name:
4-(trifluoromethylsulfonyl)benzonitrile
InChI:
InChI=1S/C8H4F3NO2S/c9-8(10,11)15(13,14)7-3-1-6(5-12)2-4-7/h1-4H
InChI Key:
UHCGSMMNICMDIX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=O)C(F)(F)F
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.18g/mol
Monoisotopic Mass:
234.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties