5122-94-1 Purity
99.5%+
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The molecular formula is C14H14BFO3.
The molecular weight is 260.07 g/mol.
It was created on August 8, 2012.
It was last modified on December 2, 2023.
The IUPAC name is (2-fluoro-3-methyl-6-phenylmethoxyphenyl)boronic acid.
The InChI is InChI=1S/C14H14BFO3/c1-10-7-8-12(13(14(10)16)15(17)18)19-9-11-5-3-2-4-6-11/h2-8,17-18H,9H2,1H3.
The InChIKey is NIAFLFHRTMXSRX-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1F)C)OCC2=CC=CC=C2)(O)O.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.