1072945-75-5 Purity
95%
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The molecular formula of 3-Cyano-5-methylphenylboronic acid is C8H8BNO2.
The molecular weight of 3-Cyano-5-methylphenylboronic acid is 160.97 g/mol.
3-Cyano-5-methylphenylboronic acid was created on August 8, 2012.
3-Cyano-5-methylphenylboronic acid was last modified on December 2, 2023.
The IUPAC name of 3-Cyano-5-methylphenylboronic acid is (3-cyano-5-methylphenyl)boronic acid.
The InChI of 3-Cyano-5-methylphenylboronic acid is InChI=1S/C8H8BNO2/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,11-12H,1H3.
The InChIKey of 3-Cyano-5-methylphenylboronic acid is HOWMWRQDWIZJNA-UHFFFAOYSA-N.
The canonical SMILES of 3-Cyano-5-methylphenylboronic acid is B(C1=CC(=CC(=C1)C#N)C)(O)O.
3-Cyano-5-methylphenylboronic acid has 2 hydrogen bond donor counts.
3-Cyano-5-methylphenylboronic acid has 3 hydrogen bond acceptor counts.