905982-78-7 Purity
96%
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Specification
The molecular formula of 3-Iodo-1H-indazole-6-carbonitrile is C8H4IN3.
The molecular weight of 3-Iodo-1H-indazole-6-carbonitrile is 269.04 g/mol.
The IUPAC name of 3-Iodo-1H-indazole-6-carbonitrile is 3-iodo-2H-indazole-6-carbonitrile.
The InChI of 3-Iodo-1H-indazole-6-carbonitrile is InChI=1S/C8H4IN3/c9-8-6-2-1-5(4-10)3-7(6)11-12-8/h1-3H,(H,11,12).
The InChIKey of 3-Iodo-1H-indazole-6-carbonitrile is FRYOUXROKRKPQP-UHFFFAOYSA-N.
The canonical SMILES of 3-Iodo-1H-indazole-6-carbonitrile is C1=CC2=C(NN=C2C=C1C#N)I.
The CAS number of 3-Iodo-1H-indazole-6-carbonitrile is 906000-39-3.
The European Community (EC) number of 3-Iodo-1H-indazole-6-carbonitrile is 813-503-2.
The XLogP3-AA value of 3-Iodo-1H-indazole-6-carbonitrile is 2.
Yes, 3-Iodo-1H-indazole-6-carbonitrile is a canonicalized compound.