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The molecular formula is C13H16INO2.
The molecular weight is 345.18 g/mol.
The IUPAC name is tert-butyl 6-iodo-2,3-dihydroindole-1-carboxylate.
The InChI is InChI=1S/C13H16INO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-5,8H,6-7H2,1-3H3.
The InChIKey is QSKPZRCADFMYNI-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N1CCC2=C1C=C(C=C2)I.
The XLogP3-AA is 3.4.
It has 0 hydrogen bond donor counts.
It has 2 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.
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