CAS
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Specification
The molecular formula is C9H9BrO2.
The molecular weight is 229.07 g/mol.
The IUPAC name is 1-(5-bromo-2-methoxyphenyl)ethanone.
The InChI is InChI=1S/C9H9BrO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3.
The InChIKey is GLKBPFOSTPLEKE-UHFFFAOYSA-N.
The canonical SMILES is CC(=O)C1=C(C=CC(=C1)Br)OC.
The CAS number is 16740-73-1.
The XLogP3 value is 2.5.
The hydrogen bond donor count is 0.
Yes, it is a canonical compound.