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The molecular formula is C9H9BrClN3.
The molecular weight is 274.54 g/mol.
The IUPAC name is 5-bromo-4-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine.
The InChI is InChI=1S/C9H9BrClN3/c1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14/h3-5H,1-2H3.
The InChIKey is ARSZZBPXLBCJRY-UHFFFAOYSA-N.
The canonical SMILES is CC(C)N1C=C(C2=C1N=CN=C2Cl)Br.
The CAS number is 870706-48-2.
The DSSTox Substance ID is DTXSID70671867.
The XLogP3-AA value is 3.
Yes, the compound is canonicalized.
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