CAS
1451393-30-8 Purity
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1451393-30-8 Purity
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The molecular formula is C7H6BBrO3.
The molecular weight is 228.84 g/mol.
The IUPAC name is (4-bromo-3-formylphenyl)boronic acid.
The InChI is InChI=1S/C7H6BBrO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H.
The InChIKey is BHMOILCSUBRDTD-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)Br)C=O)(O)O.
The CAS number is 1451393-33-1.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
Yes, it is a canonicalized compound.