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The molecular formula is C12H13FN2O2.
The molecular weight is 236.24 g/mol.
The IUPAC name is 2-tert-butyl-4-fluoro-5-nitro-1H-indole.
The InChI is InChI=1S/C12H13FN2O2/c1-12(2,3)10-6-7-8(14-10)4-5-9(11(7)13)15(16)17/h4-6,14H,1-3H3.
The InChIKey is CLIWUFBUJSJAFM-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C)C1=CC2=C(N1)C=CC(=C2F)[N+](=O)[O-].
It was created on October 30, 2011.
It was last modified on December 30, 2023.
The XLogP3-AA value is 3.7.
Yes, it is a canonicalized compound.
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