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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>6</sub>BrFN<sub>2</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	C₉H₆BrFN₂
Molecular Weight	241.06 g/mol
Exact Mass	239.9698 Da
InChI	InChI=1S/C9H6BrFN2/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9/h1-6H
InChIKey	OAIFXEHOEQLJIP-UHFFFAOYSA-N
SMILES	C1=C(C=CC(=C1)N2C=C(C=N2)Br)F
Number of Atoms	19
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	11
XLogP	2.2

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