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The molecular formula is C9H8BrClO2.
The synonyms are methyl 2-(bromomethyl)-6-chlorobenzoate, 482578-63-2, METHYL 2-BROMOMETHYL-6-CHLORO-BENZOATE, Methyl2-(bromomethyl)-6-chlorobenzoate, Methyl 2-bromomethyl-6-chlorobenzoate.
The molecular weight is 263.51 g/mol.
The IUPAC name is methyl 2-(bromomethyl)-6-chlorobenzoate.
The InChI is InChI=1S/C9H8BrClO2/c1-13-9(12)8-6(5-10)3-2-4-7(8)11/h2-4H,5H2,1H3.
The InChIKey is NJTSSAZFZFNFPO-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=C(C=CC=C1Cl)CBr.
The CAS number is 482578-63-2.
Yes, it is a canonicalized compound.
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