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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>10</sub>BrNO<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	C₁₄H₁₀BrNO₂S
Molecular Weight	336.20 g/mol
Exact Mass	334.9615 Da
InChI	InChI=1S/C14H10BrNO2S/c15-12-5-7-13(8-6-12)19(17,18)16-10-9-11-3-1-2-4-14(11)16/h1-10H
InChIKey	ZJXVKDOITQFQHU-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=C(C=C3)Br
Number of Atoms	29
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	18
XLogP	2.3

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