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The molecular formula of the compound is C16H10BrNO2.
The computed molecular weight of the compound is 328.16 g/mol.
The IUPAC name of the compound is 2-(3-bromophenyl)quinoline-4-carboxylic acid.
The InChI of the compound is InChI=1S/C16H10BrNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20).
The InChIKey of the compound is KBIDGMKRLPPRNG-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)O.
The CAS number of the compound is 298230-83-8.
The XLogP3-AA value of the compound is 4.1.
The compound has 1 hydrogen bond donor count.
The compound has 2 rotatable bond count.
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