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The molecular formula of the compound is C11H16BBrFNO3.
The molecular weight of the compound is 319.97 g/mol.
The IUPAC name of the compound is (4-bromo-2-fluoropyridin-3-yl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid.
The InChI code of the compound is InChI=1S/C11H16BBrFNO3/c1-10(2,16)11(3,4)18-12(17)8-7(13)5-6-15-9(8)14/h5-6,16-17H,1-4H3.
The InChIKey of the compound is IDQSLJOHGUTHNC-UHFFFAOYSA-N.
The canonical SMILES of the compound is B(C1=C(C=CN=C1F)Br)(O)OC(C)(C)C(C)(C)O.
The compound has 2 hydrogen bond donor counts.
The compound has 5 hydrogen bond acceptor counts.
The compound has 4 rotatable bond counts.
Yes, the compound is canonicalized.
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