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The molecular formula is C6H3BrIN3.
The molecular weight is 323.92 g/mol.
The IUPAC name is 2-bromo-7-iodo-5H-pyrrolo[2,3-b]pyrazine.
The InChI is InChI=1S/C6H3BrIN3/c7-4-2-10-6-5(11-4)3(8)1-9-6/h1-2H,(H,9,10).
The InChIKey is ULGMTONBTOMHOK-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C2=NC(=CN=C2N1)Br)I.
The CAS number is 875781-44-5.
The ChEMBL ID is CHEMBL3627726.
The XLogP3-AA value is 2.
Yes, it is a canonicalized compound.
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