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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>7</sub>ClN<sub>2</sub>

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Extracted from

Scheme 48

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₇ClN₂
Molecular Weight	178.62 g/mol
Exact Mass	178.0298 Da
InChI	InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChIKey	HLCXWJKNVWWWOF-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1C2=CC=NN2)Cl
Number of Atoms	19
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	11
XLogP	2.0

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