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The molecular formula is C6H3BrClNO2.
The molecular weight is 236.45 g/mol.
The IUPAC name is 4-bromo-1-chloro-2-nitrobenzene.
The InChI is InChI=1S/C6H3BrClNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H.
The InChIKey is DJRYWPGOQTUJMQ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Br)[N+](=O)[O-])Cl.
The CAS number is 16588-24-2.
The European Community (EC) number is 685-567-8.
The DSSTox Substance ID is DTXSID80355888.
Yes, 5-Bromo-2-chloronitrobenzene is a canonicalized compound according to PubChem.
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