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

3-Fluoro-4-(trifluoromethyl)benzonitrile

CAS No.:
231953-38-1
Catalog Number:
AG002MH7
Molecular Formula:
C8H3F4N
Molecular Weight:
189.1097
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$47
- +
25g
95%
In Stock USA
United States
$116
- +
100g
95%
In Stock USA
United States
$262
- +
Product Description
Catalog Number:
AG002MH7
Chemical Name:
3-Fluoro-4-(trifluoromethyl)benzonitrile
CAS Number:
231953-38-1
Molecular Formula:
C8H3F4N
Molecular Weight:
189.1097
MDL Number:
MFCD00236280
IUPAC Name:
3-fluoro-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H
InChI Key:
CFPNGJCBTZAVDN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)F)C(F)(F)F
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.113g/mol
Monoisotopic Mass:
189.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties