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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

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Chemical structure C<sub>8</sub>H<sub>7</sub>IO<sub>2</sub>

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₇IO₂
Molecular Weight	262.04 g/mol
Exact Mass	261.9491 Da
InChI	InChI=1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3
InChIKey	BXXLTVBTDZXPTN-UHFFFAOYSA-N
SMILES	COC(=O)C1=C(C=CC=C1)I
Number of Atoms	18
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	9
XLogP	1.9

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