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Friedel–Crafts acylation of benzene derivatives in tunable aryl alkyl ionic liquids (TAAILs)

Swantje Lerch, Stefan Fritsch and Thomas Strassner

Beilstein J. Org. Chem. 2023, 19, 212–216. https://doi.org/10.3762/bjoc.19.20

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Chemical structure C<sub>16</sub>H<sub>12</sub>O

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₆H₁₂O
Molecular Weight	220.27 g/mol
Exact Mass	220.0888 Da
InChI	InChI=1S/C16H12O/c1-11(17)16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,1H3
InChIKey	NXXNVJDXUHMAHU-UHFFFAOYSA-N
SMILES	CC(=O)C1=C2C=CC=CC2=CC3=C1C=CC=C3
Number of Atoms	29
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	16
XLogP	3.5

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