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Structure

N-Boc-3-bromo-6-nitroindole

CAS
1246471-29-3
Catalog Number
ACM1246471293
Category
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What is the molecular formula of N-Boc-3-bromo-6-nitroindole?

The molecular formula of N-Boc-3-bromo-6-nitroindole is C13H13BrN2O4.

What are the synonyms of N-Boc-3-bromo-6-nitroindole?

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.

What is the molecular weight of N-Boc-3-bromo-6-nitroindole?

The molecular weight of N-Boc-3-bromo-6-nitroindole is 341.16 g/mol.

What is the IUPAC name of N-Boc-3-bromo-6-nitroindole?

The IUPAC name of N-Boc-3-bromo-6-nitroindole is tert-butyl 3-bromo-6-nitroindole-1-carboxylate.

What is the InChI of N-Boc-3-bromo-6-nitroindole?

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.

What is the InChIKey of N-Boc-3-bromo-6-nitroindole?

The InChIKey of N-Boc-3-bromo-6-nitroindole is GPNILAWQQQYXJF-UHFFFAOYSA-N.

What is the canonical SMILES of N-Boc-3-bromo-6-nitroindole?

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.

What is the XLogP3-AA value of N-Boc-3-bromo-6-nitroindole?

The XLogP3-AA value of N-Boc-3-bromo-6-nitroindole is 3.8.

How many heavy atoms are present in N-Boc-3-bromo-6-nitroindole?

There are 20 heavy atoms present in N-Boc-3-bromo-6-nitroindole.

Is N-Boc-3-bromo-6-nitroindole a canonicalized compound?

Yes, N-Boc-3-bromo-6-nitroindole is a canonicalized compound.

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