CAS
1257072-34-6 Purity
97%
1257072-34-6 Purity
97%
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Specification
The molecular formula is C5H3ClN4.
The molecular weight is 154.56 g/mol.
The IUPAC name is 6-chloro-1H-pyrazolo[3,4-b]pyrazine.
The InChI is InChI=1S/C5H3ClN4/c6-4-2-7-3-1-8-10-5(3)9-4/h1-2H,(H,8,9,10).
The InChIKey is PGTUKZWBYWVLHW-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(N=C2C(=N1)C=NN2)Cl.
The CAS number is 1260664-81-0.
The XLogP3-AA value is 0.8.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 3.