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The molecular formula of the compound is C17H21BrO.
The molecular weight of the compound is 321.3 g/mol.
The IUPAC name of the compound is 1-(5-bromo-2-methoxyphenyl)adamantane.
The InChI of the compound is InChI=1S/C17H21BrO/c1-19-16-3-2-14(18)7-15(16)17-8-11-4-12(9-17)6-13(5-11)10-17/h2-3,7,11-13H,4-6,8-10H2,1H3.
The InChIKey of the compound is QQAMHHZQONQBFZ-UHFFFAOYSA-N.
The canonical SMILES of the compound is COC1=C(C=C(C=C1)Br)C23CC4CC(C2)CC(C4)C3.
The CAS number of the compound is 104224-63-7.
The EC number of the compound is 926-283-9.
The DSSTox Substance ID of the compound is DTXSID30391054.
Yes, the compound is canonicalized.
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