863870-87-5 Purity
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The molecular formula of 7-Bromo-3-Chromanone is C9H7BrO2.
The molecular weight of 7-Bromo-3-Chromanone is 227.05 g/mol.
The IUPAC name of 7-Bromo-3-Chromanone is 7-bromo-4H-chromen-3-one.
The InChI of 7-Bromo-3-Chromanone is InChI=1S/C9H7BrO2/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-2,4H,3,5H2.
The InChIKey of 7-Bromo-3-Chromanone is HYTUXLBZBRFDRR-UHFFFAOYSA-N.
The canonical SMILES of 7-Bromo-3-Chromanone is C1C(=O)COC2=C1C=CC(=C2)Br.
The CAS number of 7-Bromo-3-Chromanone is 944904-11-4.
The XLogP3-AA value of 7-Bromo-3-Chromanone is 2.1.
Yes, 7-Bromo-3-Chromanone is a canonicalized compound.