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The molecular formula is C7H3BrClN.
The molecular weight is 216.46 g/mol.
The IUPAC name is 5-bromo-2-chlorobenzonitrile.
The InChI is InChI=1S/C7H3BrClN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H.
The InChIKey is NKDMQBUJOXQVEA-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Br)C#N)Cl.
The CAS number is 57381-44-9.
The XLogP3 value is 2.7.
It has 0 hydrogen bond donor counts.
Yes, it is a canonicalized compound.
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