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The molecular formula is C8H5N3.
The molecular weight is 143.15 g/mol.
The IUPAC name is 3H-benzimidazole-5-carbonitrile.
The InChI is InChI=1S/C8H5N3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,(H,10,11).
The InChIKey is NICYTXJGZRYCEQ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=C1C#N)NC=N2.
The CAS number is 6287-83-8.
The European Community (EC) number is 813-881-9.
The DSSTox Substance ID is DTXSID20978611.
The ChEMBL ID is CHEMBL4585888.
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