1451393-33-1 Purity
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The molecular formula of 3-Bromo-5-isopropylphenylboronic acid is C9H12BBrO2.
The molecular weight of 3-Bromo-5-isopropylphenylboronic acid is 242.91 g/mol.
3-Bromo-5-isopropylphenylboronic acid was created on March 8, 2012.
The IUPAC name of 3-Bromo-5-isopropylphenylboronic acid is (3-bromo-5-propan-2-ylphenyl)boronic acid.
The InChI of 3-Bromo-5-isopropylphenylboronic acid is InChI=1S/C9H12BBrO2/c1-6(2)7-3-8(10(12)13)5-9(11)4-7/h3-6,12-13H,1-2H3.
The InChIKey of 3-Bromo-5-isopropylphenylboronic acid is DNQVEISBEIMQOG-UHFFFAOYSA-N.
The canonical SMILES of 3-Bromo-5-isopropylphenylboronic acid is B(C1=CC(=CC(=C1)Br)C(C)C)(O)O.
3-Bromo-5-isopropylphenylboronic acid has 2 hydrogen bond donor count.
3-Bromo-5-isopropylphenylboronic acid has 2 hydrogen bond acceptor count.
3-Bromo-5-isopropylphenylboronic acid has 2 rotatable bond count.