CAS
883499-24-9 Purity
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883499-24-9 Purity
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Specification
The molecular formula is C16H9BrFNO2.
The molecular weight is 346.15 g/mol.
The IUPAC name is 6-bromo-2-(4-fluorophenyl)quinoline-4-carboxylic acid.
The InChI is InChI=1S/C16H9BrFNO2/c17-10-3-6-14-12(7-10)13(16(20)21)8-15(19-14)9-1-4-11(18)5-2-9/h1-8H,(H,20,21).
The InChIKey is ISZBWDZOXRAFRV-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O).
The CAS number is 391-23-1.
The XLogP3-AA value is 4.2.
Yes, it is a canonicalized compound.