CAS
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Specification
The molecular formula is C7H6ClI.
The molecular weight is 252.48 g/mol.
The IUPAC name is 1-chloro-2-iodo-3-methylbenzene.
The InChI is InChI=1S/C7H6ClI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3.
The InChIKey is FTGLKPMFTLNUBN-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C(=CC=C1)Cl)I.
The CAS number is 5100-98-1.
The European Community (EC) number is 681-000-3.
The DSSTox Substance ID is DTXSID10199010.
Yes, it is a canonicalized compound.