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The molecular formula is C8H11BrN4.
The molecular weight is 243.10 g/mol.
The IUPAC name is 5-bromo-2-piperazin-1-ylpyrimidine.
The InChI is InChI=1S/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2.
The InChIKey is YHWLBBPOKRHVAR-UHFFFAOYSA-N.
The canonical SMILES is C1CN(CCN1)C2=NC=C(C=N2)Br.
The CAS number is 99931-82-5.
The European Community (EC) number is 671-758-3.
The XLogP3-AA value is 0.7.
Yes, the compound is canonicalized.
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