CAS
55676-22-7 Purity
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55676-22-7 Purity
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Specification
The molecular formula is C7H5BrFNO2.
The molecular weight is 234.02 g/mol.
The IUPAC name is methyl 2-bromo-5-fluoropyridine-4-carboxylate.
The InChI is InChI=1S/C7H5BrFNO2/c1-12-7(11)4-2-6(8)10-3-5(4)9/h2-3H,1H3.
The InChIKey is HLTNRIWFYBDWKA-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=CC(=NC=C1F)Br.
The CAS number is 885588-14-7.
The European Community (EC) number is 807-206-7.
The Monoisotopic Mass is 232.94877 g/mol.
Yes, methyl 2-bromo-5-fluoroisonicotinate is canonicalized.