Oxidative fluorination with Selectfluor: A convenient procedure for preparing hypervalent iodine(V) fluorides

Samuel M. G. Dearman, Xiang Li, Yang Li, Kuldip Singh and Alison M. Stuart
Beilstein J. Org. Chem. 2024, 20, 1785–1793. https://doi.org/10.3762/bjoc.20.157

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C11H9NO2
Molecular Weight 187.20 g/mol
Exact Mass 187.0633 Da
InChI
InChI=1S/C11H9NO2/c1-9(2)3-4-10-5-7-11(8-6-10)12(13)14/h5-8H,1H2,2H3
InChIKey
HMSGIIDZGUBDAU-UHFFFAOYSA-N
SMILES
C=C(C)C#CC1=CC=C(C=C1)[N+](=O)[O-]
Number of Atoms 23
Number of H-Bond Acceptors 0
Number of H-Bond Donors 0
Atoms in the Largest π-System 13
XLogP 3.2
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