Home Sulfos 4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile

4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile

CAS No.:
1951441-73-8
Catalog Number:
AG00I3A2
Molecular Formula:
C9H6F3NO2S
Molecular Weight:
249.2096
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$1100
- +
Product Description
Catalog Number:
AG00I3A2
Chemical Name:
4-Methanesulfonyl-2-(trifluoromethyl)benzonitrile
CAS Number:
1951441-73-8
Molecular Formula:
C9H6F3NO2S
Molecular Weight:
249.2096
MDL Number:
MFCD29764394
IUPAC Name:
4-methylsulfonyl-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3NO2S/c1-16(14,15)7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4H,1H3
InChI Key:
GIZDLYRVBVGYPN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C
Properties
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.207g/mol
Monoisotopic Mass:
249.007g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties