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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 37

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/c1-2-12-21(11-1)18-13-16-7-3-5-14-9-10-15-6-4-8-17(18)20(15)19(14)16/h1-13H
InChIKey	RKQXDBFSQKJXCX-UHFFFAOYSA-N
SMILES	C1=CN(C=C1)C2=CC3=C4C(=CC=C3)C=CC5=CC=CC2=C54
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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