200956-13-4 Purity
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Specification
The molecular formula of 5-Bromo-1H-indazole-3-carbonitrile is C8H4BrN3.
The molecular weight of 5-Bromo-1H-indazole-3-carbonitrile is 222.04 g/mol.
The IUPAC name of 5-Bromo-1H-indazole-3-carbonitrile is 5-bromo-1H-indazole-3-carbonitrile.
The InChI of 5-Bromo-1H-indazole-3-carbonitrile is InChI=1S/C8H4BrN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12).
The InChIKey of 5-Bromo-1H-indazole-3-carbonitrile is QIULWQLXNFSZJG-UHFFFAOYSA-N.
The canonical SMILES of 5-Bromo-1H-indazole-3-carbonitrile is C1=CC2=C(C=C1Br)C(=NN2)C#N.
The CAS number of 5-Bromo-1H-indazole-3-carbonitrile is 201227-39-6.
The EC number of 5-Bromo-1H-indazole-3-carbonitrile is 886-811-8.
The XLogP3-AA value of 5-Bromo-1H-indazole-3-carbonitrile is 2.3.
Yes, 5-Bromo-1H-indazole-3-carbonitrile is a canonicalized compound.