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Clauson–Kaas pyrrole synthesis using diverse catalysts: a transition from conventional to greener approach

Dileep Kumar Singh and Rajesh Kumar

Beilstein J. Org. Chem. 2023, 19, 928–955. https://doi.org/10.3762/bjoc.19.71

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Chemical structure C<sub>20</sub>H<sub>13</sub>N

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₀H₁₃N
Molecular Weight	267.32 g/mol
Exact Mass	267.1048 Da
InChI	InChI=1S/C20H13N/c1-2-13-21(12-1)18-11-9-16-7-6-14-4-3-5-15-8-10-17(18)20(16)19(14)15/h1-13H
InChIKey	LSWIIQXVZAHUGP-UHFFFAOYSA-N
SMILES	C1=CN(C=C1)C2=CC=C3C=CC4=CC=CC5=C4C3=C2C=C5
Number of Atoms	34
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	21
XLogP	4.5

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