Home Nitriles 4,5-Difluorophthalonitrile

4,5-Difluorophthalonitrile

CAS No.:
134450-56-9
Catalog Number:
AG003KHZ
Molecular Formula:
C8H2F2N2
Molecular Weight:
164.1117
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$167
- +
5g
95%
In Stock USA
United States
$540
- +
10g
95%
In Stock USA
United States
$973
- +
Product Description
Catalog Number:
AG003KHZ
Chemical Name:
4,5-Difluorophthalonitrile
CAS Number:
134450-56-9
Molecular Formula:
C8H2F2N2
Molecular Weight:
164.1117
MDL Number:
MFCD00061281
IUPAC Name:
4,5-difluorobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H2F2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
InChI Key:
KNDUBEZZKOOYMJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1C#N)F
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.115g/mol
Monoisotopic Mass:
164.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties