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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>3</sub>H<sub>6</sub>ClNO

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₃H₆ClNO
Molecular Weight	107.54 g/mol
Exact Mass	107.0138 Da
InChI	InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)
InChIKey	HOZLOOPIXHWKCI-UHFFFAOYSA-N
SMILES	CNC(=O)CCl
Number of Atoms	12
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	3
XLogP	-0.1

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