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Mechanochemical halogenation of unsymmetrically substituted azobenzenes

Dajana Barišić, Mario Pajić, Ivan Halasz, Darko Babić and Manda Ćurić

Beilstein J. Org. Chem. 2022, 18, 680–687. https://doi.org/10.3762/bjoc.18.69

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Chemical structure C<sub>12</sub>H<sub>9</sub>BrN<sub>2</sub>

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Extracted from

Figure 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₉BrN₂
Molecular Weight	261.12 g/mol
Exact Mass	259.9949 Da
InChI	InChI=1S/C12H9BrN2/c13-11-8-4-5-9-12(11)15-14-10-6-2-1-3-7-10/h1-9H/b15-14+
InChIKey	MULAQBQFTFXRFO-CCEZHUSRSA-N
SMILES	C1=CC=C(C=C1)/N=N/C2=C(C=CC=C2)Br
Number of Atoms	24
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	14
XLogP	3.3

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