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The molecular formula is C8H6BrFO2.
The molecular weight is 233.03 g/mol.
The IUPAC name is methyl 3-bromo-4-fluorobenzoate.
The InChI is InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3.
The InChIKey is JVORYGNKYAXATM-UHFFFAOYSA-N.
The Canonical SMILES is COC(=O)C1=CC(=C(C=C1)F)Br.
The CAS number is 82702-31-6.
The European Community (EC) number is 617-378-3.
The DSSTox Substance ID is DTXSID30426936.
Yes, Methyl 3-bromo-4-fluorobenzoate is a canonicalized compound.
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