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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>9</sub>H<sub>2</sub>ClF<sub>5</sub>N<sub>2</sub>

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Extracted from

Scheme 7

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₂ClF₅N₂
Molecular Weight	268.57 g/mol
Exact Mass	267.9827 Da
InChI	InChI=1S/C9H2ClF5N2/c10-3-1-16-17(2-3)9-7(14)5(12)4(11)6(13)8(9)15/h1-2H
InChIKey	QAXDQKVZLWRIGO-UHFFFAOYSA-N
SMILES	C1=NN(C=C1Cl)C2=C(C(=C(C(=C2F)F)F)F)F
Number of Atoms	19
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	2.4

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