923591-51-9 Purity
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Specification
The molecular formula of the compound is C6H3ClIN3.
The molecular weight of the compound is 279.46 g/mol.
The IUPAC name of the compound is 5-chloro-3-iodopyrazolo[1,5-a]pyrimidine.
The InChI of the compound is InChI=1S/C6H3ClIN3/c7-5-1-2-11-6(10-5)4(8)3-9-11/h1-3H.
The InChIKey of the compound is OPASGSRWIMSJGT-UHFFFAOYSA-N.
The Canonical SMILES of the compound is C1=CN2C(=C(C=N2)I)N=C1Cl.
The CAS number of the compound is 923595-58-8.
The European Community (EC) number of the compound is 853-800-4.
The XLogP3-AA value of the compound is 1.9.
Yes, the compound is considered as canonicalized.