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The molecular formula is C9H9BrO2.
The molecular weight is 229.07 g/mol.
The IUPAC name is 1-(3-bromo-4-methoxyphenyl)ethanone.
The InChI is InChI=1S/C9H9BrO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3.
The InChIKey is JYPGOBDETCKKKV-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)C1=CC(=C(C=C1)OC)Br.
The CAS number is 35310-75-9.
The EC number is 673-347-4.
The XLogP3-AA value is 2.3.
Yes, the compound is canonicalized.
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