methyl 2,3,4-tris(fluoranyl)-6-isocyanato-benzoate

Systemtic Name: methyl 2,3,4-tris(fluoranyl)-6-isocyanato-benzoate Openeye Name: methyl 2,3,4-trifluoro-6-isocyanato-benzoate CAS Name: 2,3,4-trifluoro-6-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 2,3,4-trifluoro-6-isocyanatobenzoate Traditional Name: 2,3,4-trifluoro-6-isocyanato-benzoic acid methyl ester Formula: C9H4F3NO3 MolecularWeight: 231.12817

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1N=C=O)F)F)F

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1N=C=O)F)F)F

InChI

InChI=1S/C9H4F3NO3/c1-16-9(15)6-5(13-3-14)2-4(10)7(11)8(6)12/h2H,1H3