CAS
1072952-48-7 Purity
96%
1072952-48-7 Purity
96%
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Specification
The molecular formula is C5H4BBrClNO2.
The molecular weight is 236.26 g/mol.
The IUPAC name is (2-bromo-5-chloropyridin-4-yl)boronic acid.
The InChI is InChI=1S/C5H4BBrClNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2,10-11H.
The InChIKey is OEBDNRIHMPUZNU-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=NC=C1Cl)Br)(O)O.
The CAS number is 1072952-51-2.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
Yes, it is a canonicalized compound according to PubChem.