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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>12</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	C₁₈H₁₂BrNO₂S
Molecular Weight	386.26 g/mol
Exact Mass	384.9772 Da
InChI	InChI=1S/C18H12BrNO2S/c19-13-9-11-14(12-10-13)23(21,22)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H
InChIKey	RKNCVAFIKQRMKG-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)N(C3=C2C=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br
Number of Atoms	35
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	22
XLogP	2.9

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