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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>5</sub>ClO

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Extracted from

Scheme 2 Scheme 42

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₅ClO
Molecular Weight	140.57 g/mol
Exact Mass	140.0029 Da
InChI	InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey	PASDCCFISLVPSO-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)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	1.6

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