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Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller

Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

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Chemical structure C<sub>15</sub>H<sub>11</sub>F<sub>2</sub>IO<sub>3</sub>S

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Extracted from

Scheme 31

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₁F₂IO₃S
Molecular Weight	436.21 g/mol
Exact Mass	435.9442 Da
InChI	InChI=1S/C15H11F2IO3S/c16-15(17)22(20,21)14(18-12-9-5-2-6-10-12)13(19)11-7-3-1-4-8-11/h1-10,15H
InChIKey	KYRLESQUFREIQV-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C(=O)C(=IC2=CC=CC=C2)S(=O)(=O)C([H])(F)F
Number of Atoms	33
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	19
XLogP	3.1

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