CAS
944904-13-6 Purity
96%
944904-13-6 Purity
96%
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Specification
The molecular formula is C9H9IN2O2.
The molecular weight is 304.08 g/mol.
The IUPAC name is 3-iodo-5,6-dimethoxy-2H-indazole.
The InChI is InChI=1S/C9H9IN2O2/c1-13-7-3-5-6(4-8(7)14-2)11-12-9(5)10/h3-4H,1-2H3,(H,11,12).
The InChIKey is GDKOKWILNDGZBR-UHFFFAOYSA-N.
The Canonical SMILES is COC1=CC2=C(NN=C2C=C1OC)I.
The CAS number is 944904-29-4.
The XLogP3-AA value is 2.2.
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor counts.