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The molecular formula is C8H6BrNO.
The molecular weight is 212.04 g/mol.
The IUPAC Name is 3-bromo-4-methoxybenzonitrile.
The InChI is InChI=1S/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3.
The InChIKey is QHWZMDRKTYTPEE-UHFFFAOYSA-N.
The Canonical SMILES is COC1=C(C=C(C=C1)C#N)Br.
The CAS number is 117572-79-9.
The XLogP3-AA value is 2.3.
The hydrogen bond donor count is 0.
Yes, 3-Bromo-4-methoxybenzonitrile is a canonicalized compound.
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