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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 CF<sub>3</sub>NaO<sub>2</sub>S

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Extracted from

Scheme 84

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	CF₃NaO₂S
Molecular Weight	156.06 g/mol
Exact Mass	155.9469 Da
InChI	InChI=1S/CHF3O2S.Na/c2-1(3,4)7(5)6;/h(H,5,6);/q;+1/p-1
InChIKey	KAVUKAXLXGRUCD-UHFFFAOYSA-M
SMILES	C(F)(F)(F)S(=O)O[Na]
Number of Atoms	8
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	3
XLogP	-0.2

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