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Home > Fluorides > 833457-64-0
833457-64-0 | 2,4-Pyridinedicarbonitrile, 6-[3-(trifluoromethoxy)phenyl]-
CAS No: 833457-64-0 Catalog No: AG004SRD MDL No:
Product Description
Catalog Number:
AG004SRD
Chemical Name:
2,4-Pyridinedicarbonitrile, 6-[3-(trifluoromethoxy)phenyl]-
CAS Number:
833457-64-0
Molecular Formula:
C14H6F3N3O
Molecular Weight:
289.2121
IUPAC Name:
6-[3-(trifluoromethoxy)phenyl]pyridine-2,4-dicarbonitrile
InChI:
InChI=1S/C14H6F3N3O/c15-14(16,17)21-12-3-1-2-10(6-12)13-5-9(7-18)4-11(8-19)20-13/h1-6H
InChI Key:
WOPFJFWETRABSX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)nc(c1)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.217g/mol
Monoisotopic Mass:
289.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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