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The molecular formula is C10H13BrO.
The molecular weight is 229.11 g/mol.
The IUPAC name is 1-bromo-4-[(2-methylpropan-2-yl)oxy]benzene.
The InChI is InChI=1S/C10H13BrO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3.
The InChIKey is QIWQHUCUWNGYDZ-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC1=CC=C(C=C1)Br.
The CAS number is 60876-70-2.
The EC number is 641-192-1.
The DSSTox Substance ID is DTXSID20377221.
Yes, 1-Bromo-4-tert-butoxybenzene is considered a canonicalized compound.
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