96638-29-8 Purity
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Specification
The molecular formula of the compound is C15H9BrO3.
The molecular weight of the compound is 317.13 g/mol.
The compound was created on July 8, 2005, and last modified on December 30, 2023.
The IUPAC name of the compound is 3-(4-bromophenyl)-7-hydroxychromen-4-one.
The InChI code of the compound is InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,17H.
The InChIKey of the compound is NGCRKXKWFTUSKG-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)Br.
The CAS number of the compound is 96644-05-2.
The XLogP3-AA value of the compound is 3.5.
Yes, the compound is canonicalized.