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May 23, 2023
In the experiment, 5-Chloro-2-(methoxymethoxy)phenylboronic acid can be used as an organic intermediate in Suzuki coupling reaction.
The molecular formula is C8H10BClO4.
The molecular weight is 216.43 g/mol.
The IUPAC name is [5-chloro-2-(methoxymethoxy)phenyl]boronic acid.
The InChI is InChI=1S/C8H10BClO4/c1-13-5-14-8-3-2-6(10)4-7(8)9(11)12/h2-4,11-12H,5H2,1H3.
The InChIKey is QTWCKSWCYVBQTN-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)Cl)OCOC)(O)O.
The CAS number is 609352-56-9.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
Yes, it is a canonicalized compound.
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