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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>8</sub>H<sub>5</sub>Br

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Extracted from

Scheme 41

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₈H₅Br
Molecular Weight	181.03 g/mol
Exact Mass	179.9575 Da
InChI	InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChIKey	LTLVZQZDXQWLHU-UHFFFAOYSA-N
SMILES	C#CC1=CC=C(C=C1)Br
Number of Atoms	14
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	2.2

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