2-tert-Butyl-1-methyl-5-nitro-1H-indole

CAS

952664-81-2

Catalog Number

ACM952664812

Category

Other Products

Molecular Weight

232.278340 [g/mol]

Molecular Formula

C₁₃H₁₆N₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

952664-81-2, 2-TERT-BUTYL-1-METHYL-5-NITRO-1H-INDOLE, 2-tert-butyl-1-methyl-5-nitro-indole, SureCN1465651, CTK5H7609, 2-tert-butyl-1-methyl-5-nitroindole, AG-H-92411, KB-224604, 2-(tert-Butyl)-1-methyl-5-nitro-1H-indole, A845259

IUPAC Name

2-tert-butyl-1-methyl-5-nitroindole

Canonical SMILES

CC(C)(C)C1=CC2=C(N1C)C=CC(=C2)[N+](=O)[O-]

InChI Key

VRGAZLNXPPQBNH-UHFFFAOYSA-N

Exact Mass

232.12100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound?

The molecular formula of the compound is C13H16N2O2.

What are the synonyms for the compound?

The synonyms for the compound are 952664-81-2, 2-TERT-BUTYL-1-METHYL-5-NITRO-1H-INDOLE, 2-(tert-Butyl)-1-methyl-5-nitro-1H-indole, and 2-tert-butyl-1-methyl-5-nitroindole.

What is the molecular weight of the compound?

The molecular weight of the compound is 232.28 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-tert-butyl-1-methyl-5-nitroindole.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H16N2O2/c1-13(2,3)12-8-9-7-10(15(16)17)5-6-11(9)14(12)4/h5-8H,1-4H3.

What is the InChIKey of the compound?

The InChIKey of the compound is VRGAZLNXPPQBNH-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)(C)C1=CC2=C(N1C)C=CC(=C2)[N+](=O)[O-].

What is the CAS number of the compound?

The CAS number of the compound is 952664-81-2.