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May 23, 2023
The molecule synthesized by 4-Chloro-3-methoxyphenylboronic acid pinacol ester and quinoline can detect hydrogen peroxide efficiently.
The molecular formula of the compound is C13H18BClO3.
The molecular weight of the compound is 268.54 g/mol.
The IUPAC name of the compound is 2-(4-chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
The InChI of the compound is InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5/h6-8H,1-5H3.
The InChIKey of the compound is MPAOYOWXKCYTSJ-UHFFFAOYSA-N.
The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)OC.
The CAS number of the compound is 627525-96-6.
The hydrogen bond donor count of the compound is 0.
The hydrogen bond acceptor count of the compound is 3.
Yes, the compound is canonicalized.
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