Home Nitriles 4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

4-Isothiocyanato-2-(trifluoromethyl)benzonitrile

CAS No.:
143782-23-4
Catalog Number:
AG00ABHY
Molecular Formula:
C9H3F3N2S
Molecular Weight:
228.1937
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$132
- +
5g
98%(GC)
In Stock USA
United States
$351
- +
10g
98%(GC)
In Stock USA
United States
$630
- +
Product Description
Catalog Number:
AG00ABHY
Chemical Name:
4-Isothiocyanato-2-(trifluoromethyl)benzonitrile
CAS Number:
143782-23-4
Molecular Formula:
C9H3F3N2S
Molecular Weight:
228.1937
MDL Number:
MFCD09800709
IUPAC Name:
4-isothiocyanato-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H
InChI Key:
TYXKOMAQTWRDCR-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)C(F)(F)F)C#N
EC Number:
700-928-2
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.997g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.192g/mol
Monoisotopic Mass:
227.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties