112204-58-7 Purity
98%+
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The molecular formula of methyl 6-bromo-5-fluoronicotinate is C7H5BrFNO2.
The molecular weight of methyl 6-bromo-5-fluoronicotinate is 234.02 g/mol.
The IUPAC Name of methyl 6-bromo-5-fluoronicotinate is methyl 6-bromo-5-fluoropyridine-3-carboxylate.
The InChI of methyl 6-bromo-5-fluoronicotinate is InChI=1S/C7H5BrFNO2/c1-12-7(11)4-2-5(9)6(8)10-3-4/h2-3H,1H3.
The InChIKey of methyl 6-bromo-5-fluoronicotinate is PXHKAVXJQLVUBI-UHFFFAOYSA-N.
The Canonical SMILES of methyl 6-bromo-5-fluoronicotinate is COC(=O)C1=CC(=C(N=C1)Br)F.
The CAS number of methyl 6-bromo-5-fluoronicotinate is 1214336-88-5.
The European Community (EC) Number of methyl 6-bromo-5-fluoronicotinate is 806-644-6.
The XLogP3-AA value of methyl 6-bromo-5-fluoronicotinate is 1.8.
Yes, methyl 6-bromo-5-fluoronicotinate is a canonicalized compound.