40473-07-2 Purity
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The molecular formula of 2-bromo-3-nitrotoluene is C7H6BrNO2.
The molecular weight of 2-bromo-3-nitrotoluene is 216.03 g/mol.
The IUPAC name of 2-bromo-3-nitrotoluene is 2-bromo-1-methyl-3-nitrobenzene.
The InChI of 2-bromo-3-nitrotoluene is InChI=1S/C7H6BrNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3.
The InChIKey of 2-bromo-3-nitrotoluene is GCAAVRIWNMTOKB-UHFFFAOYSA-N.
The canonical SMILES of 2-bromo-3-nitrotoluene is CC1=C(C(=CC=C1)[N+](=O)[O-])Br.
The CAS number of 2-bromo-3-nitrotoluene is 41085-43-2.
The EC number of 2-bromo-3-nitrotoluene is 628-326-4.
The DSSTox Substance ID of 2-bromo-3-nitrotoluene is DTXSID30282877.
Yes, 2-bromo-3-nitrotoluene is a canonicalized compound according to PubChem.