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.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.5.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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