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The molecular formula is C9H8BrIO2.
The molecular weight is 354.97 g/mol.
The IUPAC name is methyl 3-bromo-5-iodo-4-methylbenzoate.
The InChI is InChI=1S/C9H8BrIO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3.
The InChIKey is CWYZDZOQRNCQNW-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C=C(C=C1I)C(=O)OC)Br.
The CAS number is 905712-38-1.
It has 0 hydrogen bond donor counts.
Yes, it is a canonicalized compound according to PubChem.
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