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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>7</sub>H<sub>4</sub>BrClO

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Extracted from

Scheme 41

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₄BrClO
Molecular Weight	219.46 g/mol
Exact Mass	217.9134 Da
InChI	InChI=1S/C7H4BrClO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKey	DENKGPBHLYFNGK-UHFFFAOYSA-N
SMILES	C1=C(C=CC(=C1)Br)C(=O)Cl
Number of Atoms	14
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	1.8

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