15017-52-4 Purity
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Specification
The molecular formula of 4-Bromo-2-nitroaniline is C6H5BrN2O2.
The molecular weight of 4-Bromo-2-nitroaniline is 217.02 g/mol.
The IUPAC name of 4-Bromo-2-nitroaniline is 4-bromo-2-nitroaniline.
The InChI of 4-Bromo-2-nitroaniline is "InChI=1S/C6H5BrN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2".
The InChIKey of 4-Bromo-2-nitroaniline is "ZCWBZRBJSPWUPG-UHFFFAOYSA-N".
The canonical SMILES of 4-Bromo-2-nitroaniline is "C1=CC(=C(C=C1Br)[N+](=O)[O-])N".
The CAS number of 4-Bromo-2-nitroaniline is 875-51-4.
The European Community (EC) number of 4-Bromo-2-nitroaniline is 629-579-3.
The DSSTox Substance ID of 4-Bromo-2-nitroaniline is DTXSID0061248.
Yes, 4-Bromo-2-nitroaniline is a canonicalized compound.