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The IUPAC name of the compound is 2-(4-bromo-3-methylphenyl)-6-butyl-1,3,6,2-dioxazaborocane.
The InChI of the compound is InChI=1S/C15H23BBrNO2/c1-3-4-7-18-8-10-19-16(20-11-9-18)14-5-6-15(17)13(2)12-14/h5-6,12H,3-4,7-11H2,1-2H3.
The InChIKey of the compound is ITXHNZZPLINMBB-UHFFFAOYSA-N.
The canonical SMILES of the compound is B1(OCCN(CCO1)CCCC)C2=CC(=C(C=C2)Br)C.
The molecular weight of the compound is 340.1 g/mol.
The compound has 0 hydrogen bond donor atoms.
The compound has 3 hydrogen bond acceptor atoms.
The compound has 4 rotatable bonds.
The exact mass of the compound is 339.10052 g/mol.
Yes, the compound is canonicalized.
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