methyl 4-(2-chloranylpyrimidin-4-yl)-2-fluoranyl-benzoate

Systemtic Name: methyl 4-(2-chloranylpyrimidin-4-yl)-2-fluoranyl-benzoate Openeye Name: methyl 4-(2-chloropyrimidin-4-yl)-2-fluoro-benzoate CAS Name: 4-(2-chloro-4-pyrimidinyl)-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 4-(2-chloropyrimidin-4-yl)-2-fluorobenzoate Traditional Name: 4-(2-chloropyrimidin-4-yl)-2-fluoro-benzoic acid methyl ester Formula: C12H8ClFN2O2 MolecularWeight: 266.655523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C2=NC(=NC=C2)Cl)F

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C2=NC(=NC=C2)Cl)F

InChI

InChI=1S/C12H8ClFN2O2/c1-18-11(17)8-3-2-7(6-9(8)14)10-4-5-15-12(13)16-10/h2-6H,1H3