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The molecular formula is C9H7BBrNO2.
The molecular weight is 251.87 g/mol.
The IUPAC name is (4-bromoquinolin-3-yl)boronic acid.
The InChI is InChI=1S/C9H7BBrNO2/c11-9-6-3-1-2-4-8(6)12-5-7(9)10(13)14/h1-5,13-14H.
The InChIKey is MJWHSJOTPNCANL-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C2=CC=CC=C2N=C1)Br)(O)O.
The CAS number is 745784-06-9.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 3.
Yes, the compound is canonicalized.
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