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The molecular formula is C7H4BrF3N2O3.
The molecular weight is 301.02 g/mol.
The IUPAC name is 2-bromo-6-nitro-4-(trifluoromethoxy)aniline.
The InChI is InChI=1S/C7H4BrF3N2O3/c8-4-1-3(16-7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2.
The InChIKey is YIPBAKXAGVSSDF-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)OC(F)(F)F.
The CAS number is 886499-21-4.
The DSSTox Substance ID is DTXSID80382199.
The XLogP3-AA value is 3.5.
Yes, it is a canonicalized compound.
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