179617-08-4 Purity
96%
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The molecular formula is C12H10BrNO3.
The molecular weight is 296.12 g/mol.
The IUPAC name is ethyl 7-bromo-4-oxo-1H-quinoline-3-carboxylate.
The InChI is InChI=1S/C12H10BrNO3/c1-2-17-12(16)9-6-14-10-5-7(13)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15).
The InChIKey is WJFBKTAITAHHAR-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2)Br.
The CAS number is 179943-57-8.
The European Community (EC) number is 801-098-5.
The XLogP3-AA value is 2.7.
Yes, ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate is canonicalized.