603122-80-1 Purity
98%
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The molecular formula is C19H28BNO4.
The synonyms include tert-Butyl 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)indoline-1-carboxylate and tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole-1-carboxylate, among others.
The molecular weight is 345.2 g/mol.
The IUPAC name is tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole-1-carboxylate.
The InChI of the compound is InChI=1S/C19H28BNO4/c1-17(2,3)23-16(22)21-12-11-13-14(9-8-10-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-10H,11-12H2,1-7H3.
The InChIKey is JNLQPCDEHQJZLY-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=C3CCN(C3=CC=C2)C(=O)OC(C)(C)C.
The CAS number is 1235451-62-3.
The compound has zero hydrogen bond donors.
The topological polar surface area is 48Ų.