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The molecular formula is C14H16BrNO2.
It was created on May 30, 2009.
The IUPAC name is tert-butyl 3-bromo-7-methylindole-1-carboxylate.
The InChIKey is BXENRKXKYFCGLO-UHFFFAOYSA-N.
The canonical SMILES representation is CC1=C2C(=CC=C1)C(=CN2C(=O)OC(C)(C)C)Br.
The molecular weight is 310.19 g/mol.
The XLogP3-AA value is 4.3.
It has 2 hydrogen bond acceptors.
The topological polar surface area is 31.2 Ų.
Yes, the compound is canonicalized.
914349-31-8
914349-32-9
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