100331-89-3 Purity
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The molecular formula of the compound is C6H6BrN3O2.
The molecular weight of the compound is 232.03 g/mol.
The IUPAC name of the compound is 5-bromo-4-methyl-3-nitropyridin-2-amine.
The InChI code of the compound is InChI=1S/C6H6BrN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9).
The InChIKey of the compound is KFVGEPWMVKZPND-UHFFFAOYSA-N.
The canonical SMILES of the compound is CC1=C(C(=NC=C1Br)N)[N+](=O)[O-].
The CAS number of the compound is 100367-40-6.
The EC number of the compound is 634-469-3.
The XLogP3-AA value of the compound is 1.9.
Yes, the compound is canonicalized.