328-89-2 Purity
98%
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The molecular formula is C16H10BrNO2.
The molecular weight is 328.16 g/mol.
The IUPAC name is 6-bromo-2-phenylquinoline-4-carboxylic acid.
The InChI is InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(19)20)9-15(18-14)10-4-2-1-3-5-10/h1-9H,(H,19,20).
The InChIKey is PPBAFFAAGXPVNW-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O.
The CAS number is 33007-99-7.
The European Community (EC) Number is 673-189-6.
The XLogP3-AA value is 4.1.
Yes, 6-Bromo-2-phenylquinoline-4-carboxylic acid is a canonicalized compound.