CAS
1043869-98-2 Purity
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1043869-98-2 Purity
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Specification
The molecular formula is C6H7BBrNO2.
The molecular weight is 215.84 g/mol.
The IUPAC name is "(6-bromo-2-methylpyridin-3-yl)boronic acid".
The InChI is "InChI=1S/C6H7BBrNO2/c1-4-5(7(10)11)2-3-6(8)9-4/h2-3,10-11H,1H3".
The InChIKey is "NXLYPZNXELJJDT-UHFFFAOYSA-N".
The canonical SMILES is "B(C1=C(N=C(C=C1)Br)C)(O)O".
The CAS number is 1072944-22-9.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
Yes, it is a canonicalized compound.