927800-57-5 Purity
96%
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Specification
The molecular formula is C15H10BrNO.
It was created on November 16, 2007, and last modified on December 30, 2023.
The IUPAC name is 8-bromo-2-phenyl-1H-quinolin-4-one.
The InChI is InChI=1S/C15H10BrNO/c16-12-8-4-7-11-14(18)9-13(17-15(11)12)10-5-2-1-3-6-10/h1-9H,(H,17,18).
The InChIKey is PWMOSSSZBKQCEA-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C(=CC=C3)Br.
The molecular weight is 300.15 g/mol.
It has 1 hydrogen bond donor count.
The topological polar surface area is 29.1 Å2.
Yes, the compound is canonicalized.