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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>18</sub>H<sub>13</sub>NO<sub>2</sub>S

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Extracted from

Scheme 7

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₃NO₂S
Molecular Weight	307.37 g/mol
Exact Mass	307.0667 Da
InChI	InChI=1S/C18H13NO2S/c20-22(21,14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
InChIKey	HLDSNBPJBGAICM-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC=C3)C4=C2C=CC=C4
Number of Atoms	35
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	22
XLogP	2.3

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