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The molecular formula is C13H14BrNO2.
Some synonyms include 1-Boc-4-Bromoindole, tert-butyl 4-bromo-1H-indole-1-carboxylate, and tert-butyl 4-bromoindole-1-carboxylate.
The molecular weight is 296.16 g/mol.
The IUPAC name is tert-butyl 4-bromoindole-1-carboxylate.
The InChI key is ZGBNKNOAADXGOH-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N1C=CC2=C1C=CC=C2Br.
It has 0 hydrogen bond donor counts.
It has 2 hydrogen bond acceptor counts.
The topological polar surface area is 31.2Ų.
Yes, it is a canonicalized compound.
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