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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>BrO

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Extracted from

Scheme 15

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₉H₇BrO
Molecular Weight	211.06 g/mol
Exact Mass	209.9680 Da
InChI	InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChIKey	WQRWNOKNRHCLHV-TWGQIWQCSA-N
SMILES	C1=CC=C(C=C1)/C=C(/C([H])=O)\Br
Number of Atoms	18
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	10
XLogP	2.5

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