947534-30-7 Purity
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Specification
The molecular formula is C8H10BrN3.
The molecular weight is 228.09 g/mol.
The IUPAC name is 5-bromo-N-cyclobutylpyrimidin-2-amine.
The InChI is InChI=1S/C8H10BrN3/c9-6-4-10-8(11-5-6)12-7-2-1-3-7/h4-5,7H,1-3H2,(H,10,11,12).
The InChIKey is ZNYRNULCKWWGRG-UHFFFAOYSA-N.
The canonical SMILES is C1CC(C1)NC2=NC=C(C=N2)Br.
The CAS number is 947534-33-0.
The DSSTox Substance ID is DTXSID70669648.
The XLogP3-AA value is 2.1.
Yes, it is a canonicalized compound.
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