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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>4</sub>Cl<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 38

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₄Cl₂O₂
Molecular Weight	203.02 g/mol
Exact Mass	201.9588 Da
InChI	InChI=1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H
InChIKey	LXEJRKJRKIFVNY-UHFFFAOYSA-N
SMILES	C1=C(C=CC(=C1)C(=O)Cl)C(=O)Cl
Number of Atoms	16
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	1.2

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