56844-12-3 Purity
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Specification
The molecular formula of 6-Bromo-1H-indazole-3-carbonitrile is C8H4BrN3.
The molecular weight of 6-Bromo-1H-indazole-3-carbonitrile is 222.04 g/mol.
6-Bromo-1H-indazole-3-carbonitrile was created on February 29, 2008.
The IUPAC name of 6-Bromo-1H-indazole-3-carbonitrile is 6-bromo-1H-indazole-3-carbonitrile.
The InChI of 6-Bromo-1H-indazole-3-carbonitrile is "InChI=1S/C8H4BrN3/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H,(H,11,12)".
The InChIKey of 6-Bromo-1H-indazole-3-carbonitrile is "BNMHCHQOAQMIBU-UHFFFAOYSA-N".
The canonical SMILES of 6-Bromo-1H-indazole-3-carbonitrile is "C1=CC2=C(C=C1Br)NN=C2C#N".
The CAS number of 6-Bromo-1H-indazole-3-carbonitrile is 885278-24-0.
The XLogP3-AA value of 6-Bromo-1H-indazole-3-carbonitrile is 2.3.
Yes, 6-Bromo-1H-indazole-3-carbonitrile is a canonicalized compound.