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The molecular formula of the compound is C13H16BClN2O2.
The molecular weight of the compound is 278.54 g/mol.
The IUPAC name of the compound is 4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.
The InChI of the compound is InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-7-17-11-8(10(9)15)5-6-16-11/h5-7H,1-4H3,(H,16,17).
The InChIKey of the compound is RCMMVCSRQVWSEX-UHFFFAOYSA-N.
The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CN=C3C(=C2Cl)C=CN3.
The compound has 1 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor counts.
The compound has 1 rotatable bond count.
Yes, the compound is canonicalized.
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