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Home > Fluorides > 833457-59-3
833457-59-3 | 2-Pyridinecarbonitrile, 4-ethyl-6-[3-(trifluoromethoxy)phenyl]-
CAS No: 833457-59-3 Catalog No: AG004WEA MDL No:
Product Description
Catalog Number:
AG004WEA
Chemical Name:
2-Pyridinecarbonitrile, 4-ethyl-6-[3-(trifluoromethoxy)phenyl]-
CAS Number:
833457-59-3
Molecular Formula:
C15H11F3N2O
Molecular Weight:
292.2558
IUPAC Name:
4-ethyl-6-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
InChI:
InChI=1S/C15H11F3N2O/c1-2-10-6-12(9-19)20-14(7-10)11-4-3-5-13(8-11)21-15(16,17)18/h3-8H,2H2,1H3
InChI Key:
CVMMJXAHTUXWTR-UHFFFAOYSA-N
SMILES:
CCc1cc(C#N)nc(c1)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.261g/mol
Monoisotopic Mass:
292.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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