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| IUPAC Name: | tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate |
| Description: | N-Boc-5-bromoindoline (CAS# 261732-38-1) is used in the synthetic preparation of biologically active compounds such as selective human β3 adrenergic receptor agonists. |
| Molecular Weight: | 298.18 |
| Molecular Formula: | C13H16BrNO2 |
| Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)Br |
| InChI: | InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-5,8H,6-7H2,1-3H3 |
| InChI Key: | UOCVSZYBRMGQOL-UHFFFAOYSA-N |
| Boiling Point: | 362.854 °C at 760 mmHg |
| Density: | 1.4 g/cm3 |
| MDL: | MFCD08059280 |
| LogP: | 3.81170 |
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