What is the molecular formula of the compound?
The molecular formula of the compound is C15H9BrO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 317.13 g/mol.
When was the compound created and last modified?
The compound was created on July 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(4-bromophenyl)-7-hydroxychromen-4-one.
What is the InChI code of the compound?
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.
What is the InChIKey of the compound?
The InChIKey of the compound is NGCRKXKWFTUSKG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)Br.
What is the CAS number of the compound?
The CAS number of the compound is 96644-05-2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.5.
Is the compound canonicalized?
Yes, the compound is canonicalized.