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New synthesis of a late-stage tetracyclic key intermediate of lumateperone

Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk

Beilstein J. Org. Chem. 2022, 18, 653–659. https://doi.org/10.3762/bjoc.18.66

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Chemical structure C<sub>6</sub>H<sub>7</sub>BrN<sub>2</sub>

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Extracted from

Scheme 2 Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₆H₇BrN₂
Molecular Weight	187.04 g/mol
Exact Mass	185.9793 Da
InChI	InChI=1S/C6H7BrN2/c7-5-3-1-2-4-6(5)9-8/h1-4,9H,8H2
InChIKey	ZWMQVBSLMQSMDH-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1)NN)Br
Number of Atoms	16
Number of H-Bond Acceptors	2
Number of H-Bond Donors	2
Atoms in the Largest π-System	8
XLogP	0.6

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