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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>16</sub>H<sub>11</sub>N<sub>3</sub>

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Extracted from

Scheme 24

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₆H₁₁N₃
Molecular Weight	245.28 g/mol
Exact Mass	245.0953 Da
InChI	InChI=1S/C16H11N3/c1-2-10-19(9-1)14-11-12-5-3-7-17-15(12)16-13(14)6-4-8-18-16/h1-11H
InChIKey	BQXAKHXMRPZQQC-UHFFFAOYSA-N
SMILES	C1=CN(C=C1)C2=CC3=CC=CN=C3C4=NC=CC=C24
Number of Atoms	30
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	19
XLogP	1.5

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