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Heterocycle-guided synthesis of m-hetarylanilines via three-component benzannulation

Andrey R. Galeev, Maksim V. Dmitriev, Alexander S. Novikov and Andrey N. Maslivets

Beilstein J. Org. Chem. 2024, 20, 2208–2216. https://doi.org/10.3762/bjoc.20.188

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Chemical structure C<sub>7</sub>H<sub>9</sub>N

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₇H₉N
Molecular Weight	107.15 g/mol
Exact Mass	107.0735 Da
InChI	InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey	WGQKYBSKWIADBV-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)CN
Number of Atoms	17
Number of H-Bond Acceptors	1
Number of H-Bond Donors	1
Atoms in the Largest π-System	6
XLogP	0.5

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