CAS
959237-68-4 Purity
96%
959237-68-4 Purity
96%
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The molecular formula is C6H3BrClN3.
The molecular weight is 232.46 g/mol.
The IUPAC name is 3-bromo-5-chloropyrazolo[1,5-a]pyrimidine.
The InChI is InChI=1S/C6H3BrClN3/c7-4-3-9-11-2-1-5(8)10-6(4)11/h1-3H.
The InChIKey is IYSBSUPWYUVHKG-UHFFFAOYSA-N.
The canonical SMILES is C1=CN2C(=C(C=N2)Br)N=C1Cl.
The CAS number is 960613-96-1.
The XLogP3-AA value is 2.
Yes, 3-Bromo-5-chloropyrazolo[1,5-a]pyrimidine is a canonicalized compound.