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The molecular formula is C12H17BBrNO3.
The synonyms include 1073353-75-9, 5-BROMO-2-METHOXY-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE, and more.
The molecular weight is 313.99 g/mol.
The IUPAC name is 5-bromo-2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
The InChI is InChI=1S/C12H17BBrNO3/c1-11(2)12(3,4)18-13(17-11)9-6-8(14)7-15-10(9)16-5/h6-7H,1-5H3.
The InChIKey is KREVUNDLLHRZIB-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2OC)Br.
The CAS number is 1073353-75-9.
The hydrogen bond donor count is 0.
Yes, the compound is canonicalized.
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