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The molecular formula is C8H4ClNO.
The molecular weight is 165.57 g/mol.
The IUPAC name is 2-chlorobenzoyl cyanide.
The InChI is InChI=1S/C8H4ClNO/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4H.
The InChIKey is YUCRNASRVPZKNQ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C(=C1)C(=O)C#N)Cl.
The CAS number is 35022-42-5.
The XLogP3 value is 2.1.
The hydrogen bond donor count is 0.
Yes, 2'-Cyano-4-bromomethylbiphenyl is a canonicalized compound.
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