methyl 3-chloranyl-5-cyano-2,4,6-tris(fluoranyl)benzoate

Systemtic Name: methyl 3-chloranyl-5-cyano-2,4,6-tris(fluoranyl)benzoate Openeye Name: methyl 3-chloro-5-cyano-2,4,6-trifluoro-benzoate CAS Name: 3-chloro-5-cyano-2,4,6-trifluorobenzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-cyano-2,4,6-trifluorobenzoate Traditional Name: 3-chloro-5-cyano-2,4,6-trifluoro-benzoic acid methyl ester Formula: C9H3ClF3NO2 MolecularWeight: 249.57383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1F)C#N)F)Cl)F

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1F)C#N)F)Cl)F

InChI

InChI=1S/C9H3ClF3NO2/c1-16-9(15)4-6(11)3(2-14)7(12)5(10)8(4)13/h1H3