954238-58-5 Purity
96%
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Specification
The molecular formula is C13H16INO2.
The synonyms are 954239-31-7, 1-Boc-4-iodo-2,3-dihydro-1H-indole, tert-Butyl 4-iodoindoline-1-carboxylate, TERT-BUTYL 4-IODO-2,3-DIHYDROINDOLE-1-CARBOXYLATE, tert-butyl 4-iodo-2,3-dihydro-1H-indole-1-carboxylate.
The molecular weight is 345.18 g/mol.
It was created on August 6, 2014.
It was last modified on December 30, 2023.
The IUPAC name is tert-butyl 4-iodo-2,3-dihydroindole-1-carboxylate.
The InChI is InChI=1S/C13H16INO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3.
The InChIKey is VWNJAQBXXRWYCO-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)OC(=O)N1CCC2=C1C=CC=C2I.
The XLogP3-AA value is 3.4.