CAS
943321-89-9 Purity
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943321-89-9 Purity
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Specification
The molecular formula is C7H4BrN3O2.
It was first created on 2008-02-29 and last modified on 2023-12-30.
The IUPAC name is 4-bromo-3-nitro-1H-pyrrolo[2,3-b]pyridine.
The InChI is InChI=1S/C7H4BrN3O2/c8-4-1-2-9-7-6(4)5(3-10-7)11(12)13/h1-3H,(H,9,10).
The InChIKey is BEPFGDZUAZYOHN-UHFFFAOYSA-N.
The canonical SMILES is C1=CN=C2C(=C1Br)C(=CN2)[N+](=O)[O-].
The CAS number is 943323-63-5.
The molecular weight is 242.03 g/mol.
It has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.