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The molecular formula of 4-Bromo-1H-indole-2-carbonitrile is C9H5BrN2.
The molecular weight of 4-Bromo-1H-indole-2-carbonitrile is 221.05 g/mol.
The IUPAC name of 4-Bromo-1H-indole-2-carbonitrile is 4-bromo-1H-indole-2-carbonitrile.
The InChI of 4-Bromo-1H-indole-2-carbonitrile is InChI=1S/C9H5BrN2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,12H.
The InChIKey of 4-Bromo-1H-indole-2-carbonitrile is XFDNTTNQXSIPDZ-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-1H-indole-2-carbonitrile is C1=CC2=C(C=C(N2)C#N)C(=C1)Br.
The CAS number of 4-Bromo-1H-indole-2-carbonitrile is 955978-74-2.
The XLogP3-AA value of 4-Bromo-1H-indole-2-carbonitrile is 2.8.
The hydrogen bond donor count of 4-Bromo-1H-indole-2-carbonitrile is 1.
Yes, 4-Bromo-1H-indole-2-carbonitrile is a canonicalized compound.
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