62566-68-1 Purity
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Specification
The molecular formula of 5-Bromo-8-nitroisoquinoline is C9H5BrN2O2.
The molecular weight of 5-Bromo-8-nitroisoquinoline is 253.05 g/mol.
The IUPAC name of 5-Bromo-8-nitroisoquinoline is 5-bromo-8-nitroisoquinoline.
The InChI of 5-Bromo-8-nitroisoquinoline is InChI=1S/C9H5BrN2O2/c10-8-1-2-9(12(13)14)7-5-11-4-3-6(7)8/h1-5H.
The InChIKey of 5-Bromo-8-nitroisoquinoline is ULGOLOXWHJEZNZ-UHFFFAOYSA-N.
The canonical SMILES of 5-Bromo-8-nitroisoquinoline is C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])Br.
The CAS number of 5-Bromo-8-nitroisoquinoline is 63927-23-1.
The European Community (EC) number of 5-Bromo-8-nitroisoquinoline is 804-292-8.
Yes, 5-Bromo-8-nitroisoquinoline is a canonicalized compound according to PubChem.