CAS
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Specification
The molecular formula is C7H6BrCl.
The molecular weight is 205.48 g/mol.
The IUPAC name is 2-bromo-1-chloro-3-methylbenzene.
The InChI is InChI=1S/C7H6BrCl/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3.
The InChIKey is ADSIBTDRKLGGEO-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C(=CC=C1)Cl)Br.
The CAS number is 69190-56-3.
The EC number is 641-162-8.
Yes, it is a canonicalized compound according to PubChem.