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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>9</sub>NO

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₉NO
Molecular Weight	135.16 g/mol
Exact Mass	135.0684 Da
InChI	InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3
InChIKey	GTDQGKWDWVUKTI-UHFFFAOYSA-N
SMILES	CC(=O)C1=C(C=CC=C1)N
Number of Atoms	19
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	9
XLogP	0.8

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