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The molecular formula is C17H12BrNO3.
The molecular weight is 358.2 g/mol.
It was created on July 9, 2005.
It was last modified on December 2, 2023.
The IUPAC name is 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylic acid.
The InChI is InChI=1S/C17H12BrNO3/c1-22-12-4-2-3-10(7-12)16-9-14(17(20)21)13-8-11(18)5-6-15(13)19-16/h2-9H,1H3,(H,20,21).
The InChIKey is OSGMFZLPSOECIH-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O.
The XLogP3-AA is 4.
The hydrogen bond donor count is 1.
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