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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>8</sub>H<sub>5</sub>Cl<sub>2</sub>N<sub>3</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	C₈H₅Cl₂N₃
Molecular Weight	214.05 g/mol
Exact Mass	212.9861 Da
InChI	InChI=1S/C8H5Cl2N3/c9-6-3-12-13(5-6)7-1-2-8(10)11-4-7/h1-5H
InChIKey	RUADVQIVCNBAHL-UHFFFAOYSA-N
SMILES	C1=C(C=NC(=C1)Cl)N2C=C(C=N2)Cl
Number of Atoms	18
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	1.6

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