CAS
626-05-1 Purity
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626-05-1 Purity
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Specification
The molecular formula is C6H5BrN2O3.
The molecular weight is 233.02 g/mol.
The IUPAC name is 5-bromo-3-methoxy-2-nitropyridine.
The InChI is InChI=1S/C6H5BrN2O3/c1-12-5-2-4(7)3-8-6(5)9(10)11/h2-3H,1H3.
The InChIKey is OLWFTDPHNVYMMN-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(N=CC(=C1)Br)[N+](=O)[O-].
The CAS number is 152684-26-9.
The molecular weight is 233.02 g/mol (Computed by PubChem 2.1).
The hydrogen bond donor count is 0.
Yes, it is a canonicalized compound (Computed by PubChem).