1044210-57-2 Purity
96%
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The molecular formula is C6H4BrFN2O2.
The molecular weight is 235.01 g/mol.
The IUPAC name is 2-bromo-4-fluoro-6-nitroaniline.
The InChI is InChI=1S/C6H4BrFN2O2/c7-4-1-3(8)2-5(6(4)9)10(11)12/h1-2H,9H2.
The InChIKey is HCYDUPDSEDHSQB-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)F.
The CAS number is 10472-88-5.
The European Community (EC) number is 641-202-4.
The DSSTox Substance ID is DTXSID80303268.
Yes, 2-Bromo-4-fluoro-6-nitroaniline is a canonicalized compound according to PubChem.