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The molecular formula of 2-Chloro-4-formyl-3-methylphenylboronic acid is C8H8BClO3.
The molecular weight of 2-Chloro-4-formyl-3-methylphenylboronic acid is 198.41 g/mol.
The IUPAC name of 2-Chloro-4-formyl-3-methylphenylboronic acid is (2-chloro-4-formyl-3-methylphenyl)boronic acid.
The InChI of 2-Chloro-4-formyl-3-methylphenylboronic acid is InChI=1S/C8H8BClO3/c1-5-6(4-11)2-3-7(8(5)10)9(12)13/h2-4,12-13H,1H3.
The InChIKey of 2-Chloro-4-formyl-3-methylphenylboronic acid is XIEPSLHUTAEFTC-UHFFFAOYSA-N.
The canonical SMILES of 2-Chloro-4-formyl-3-methylphenylboronic acid is B(C1=C(C(=C(C=C1)C=O)C)Cl)(O)O.
2-Chloro-4-formyl-3-methylphenylboronic acid has 2 hydrogen bond donor counts.
2-Chloro-4-formyl-3-methylphenylboronic acid has 3 hydrogen bond acceptor counts.
2-Chloro-4-formyl-3-methylphenylboronic acid has 2 rotatable bond counts.
Yes, the compound is canonicalized.
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