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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>14</sub>H<sub>12</sub>F<sub>3</sub>NO<sub>3</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	C₁₄H₁₂F₃NO₃
Molecular Weight	299.25 g/mol
Exact Mass	299.0769 Da
InChI	InChI=1S/C14H12F3NO3/c15-14(16,17)21-11-5-3-10(4-6-11)12(9-13(19)20)18-7-1-2-8-18/h1-8,12H,9H2,(H,19,20)
InChIKey	HONNGQMCGWGAPI-UHFFFAOYSA-N
SMILES	C1=CN(C=C1)C(CC(=O)O)C2=CC=C(C=C2)OC(F)(F)F
Number of Atoms	33
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	7
XLogP	2.7

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