70978-54-0 Purity
96%
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The molecular formula of 2-Bromo-5-nitrotoluene is C7H6BrNO2.
The molecular weight of 2-Bromo-5-nitrotoluene is 216.03 g/mol.
The IUPAC name of 2-Bromo-5-nitrotoluene is 1-bromo-2-methyl-4-nitrobenzene.
The InChI of 2-Bromo-5-nitrotoluene is InChI=1S/C7H6BrNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3.
The InChIKey of 2-Bromo-5-nitrotoluene is HIMGPQVBNICCGL-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromo-5-nitrotoluene is CC1=C(C=CC(=C1)[N+](=O)[O-])Br.
The CAS number of 2-Bromo-5-nitrotoluene is 7149-70-4.
The European Community (EC) number of 2-Bromo-5-nitrotoluene is 230-481-4.
The DSSTox Substance ID of 2-Bromo-5-nitrotoluene is DTXSID10991930.
Yes, 2-Bromo-5-nitrotoluene is a canonicalized compound.