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The IUPAC Name of the compound is 5-bromo-2-(4-phenoxyphenoxy)pyridine.
The molecular formula of the compound is C17H12BrNO2.
The molecular weight of the compound is 342.2 g/mol.
The InChI of the compound is InChI=1S/C17H12BrNO2/c18-13-6-11-17(19-12-13)21-16-9-7-15(8-10-16)20-14-4-2-1-3-5-14/h1-12H.
The InChIKey of the compound is HFKFZSLXECSCKD-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=NC=C(C=C3)Br.
The XLogP3-AA value of the compound is 4.9.
The compound has 0 hydrogen bond donor counts.
The compound has 3 hydrogen bond acceptor counts.
The compound has 4 rotatable bond counts.
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