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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>10</sub>H<sub>9</sub>BrN<sub>2</sub>

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Extracted from

Scheme 24

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₉BrN₂
Molecular Weight	237.10 g/mol
Exact Mass	235.9949 Da
InChI	InChI=1S/C10H9BrN2/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)
InChIKey	OMGCVNHAFYEVRU-UHFFFAOYSA-N
SMILES	CC1=NNC(=C1Br)C2=CC=CC=C2
Number of Atoms	22
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	11
XLogP	3.0

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