50720-12-2 Purity
98%
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Specification
The molecular formula is C15H9BrN2O2.
It was created on July 8, 2005.
It was last modified on December 2, 2023.
The IUPAC name is 6-bromo-2-pyridin-2-ylquinoline-4-carboxylic acid.
The InChI is InChI=1S/C15H9BrN2O2/c16-9-4-5-12-10(7-9)11(15(19)20)8-14(18-12)13-3-1-2-6-17-13/h1-8H,(H,19,20).
The InChIKey is WNXWWXFTFGLCEC-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=NC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O.
The molecular weight is 329.15 g/mol.
It has 1 hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.