Home Nitriles 1,3-Benzenedicarbonitrile, 4,6-difluoro-

1,3-Benzenedicarbonitrile, 4,6-difluoro-

CAS No.:
17654-70-5
Catalog Number:
AG01DTQ2
Molecular Formula:
C8H2F2N2
Molecular Weight:
164.1117
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Product Description
Catalog Number:
AG01DTQ2
Chemical Name:
1,3-Benzenedicarbonitrile, 4,6-difluoro-
CAS Number:
17654-70-5
Molecular Formula:
C8H2F2N2
Molecular Weight:
164.1117
MDL Number:
MFCD19440215
IUPAC Name:
4,6-difluorobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H2F2N2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-2H
InChI Key:
UAKXPKOAUDLYKN-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)c(cc1F)F
Properties
Complexity:
233  
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