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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>15</sub>H<sub>16</sub>ClNO<sub>2</sub>

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₆ClNO₂
Molecular Weight	277.75 g/mol
Exact Mass	277.0869 Da
InChI	InChI=1S/C15H16ClNO2/c1-2-19-15(18)11-14(17-9-5-6-10-17)12-7-3-4-8-13(12)16/h3-10,14H,2,11H2,1H3
InChIKey	QTFRJTYDHZWISE-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(C1=C(C=CC=C1)Cl)N2C=CC=C2
Number of Atoms	35
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	6
XLogP	2.8

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