53242-18-5 Purity
98%
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The molecular formula of 4-Bromo-3-nitroanisole is C7H6BrNO3.
The molecular weight of 4-Bromo-3-nitroanisole is 232.03 g/mol.
The IUPAC name of 4-Bromo-3-nitroanisole is 1-bromo-4-methoxy-2-nitrobenzene.
The InChI of 4-Bromo-3-nitroanisole is InChI=1S/C7H6BrNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3.
The InChIKey of 4-Bromo-3-nitroanisole is KCOBIBRGPCFIGF-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-3-nitroanisole is COC1=CC(=C(C=C1)Br)[N+](=O)[O-].
The CAS number of 4-Bromo-3-nitroanisole is 5344-78-5.
The European Community (EC) number of 4-Bromo-3-nitroanisole is 226-290-0.
The Nikkaji Number of 4-Bromo-3-nitroanisole is J217.909A.
Yes, 4-Bromo-3-nitroanisole is canonicalized.