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The molecular formula is C14H16BrNO2.
The molecular weight is 310.19 g/mol.
The IUPAC name is tert-butyl 3-(bromomethyl)indole-1-carboxylate.
The InChI is InChI=1S/C14H16BrNO2/c1-14(2,3)18-13(17)16-9-10(8-15)11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3.
The InChIKey is NRFDZZBPGMUOQD-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CBr.
The CAS number is 96551-21-2.
The European Community (EC) number is 640-446-9.
The DSSTox Substance ID is DTXSID10342504.
Yes, the compound is canonicalized.
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