359012-63-8 Purity
95%+
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The molecular formula of N-Boc-3-bromo-6-nitroindole is C13H13BrN2O4.
The synonyms of N-Boc-3-bromo-6-nitroindole are TERT-BUTYL 3-BROMO-6-NITROINDOLE-1-CARBOXYLATE, MFCD17169909, and 1H-Indole-1-carboxylic acid, 3-bromo-6-nitro-, 1,1-dimethylethyl ester.
The molecular weight of N-Boc-3-bromo-6-nitroindole is 341.16 g/mol.
The IUPAC name of N-Boc-3-bromo-6-nitroindole is tert-butyl 3-bromo-6-nitroindole-1-carboxylate.
The InChI of N-Boc-3-bromo-6-nitroindole is InChI=1S/C13H13BrN2O4/c1-13(2,3)20-12(17)15-7-10(14)9-5-4-8(16(18)19)6-11(9)15/h4-7H,1-3H3.
The InChIKey of N-Boc-3-bromo-6-nitroindole is GPNILAWQQQYXJF-UHFFFAOYSA-N.
The canonical SMILES of N-Boc-3-bromo-6-nitroindole is CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)[N+](=O)[O-])Br.
The XLogP3-AA value of N-Boc-3-bromo-6-nitroindole is 3.8.
There are 20 heavy atoms present in N-Boc-3-bromo-6-nitroindole.
Yes, N-Boc-3-bromo-6-nitroindole is a canonicalized compound.