methyl 4,5-bis(fluoranyl)-2-isocyanato-benzoate

Systemtic Name: methyl 4,5-bis(fluoranyl)-2-isocyanato-benzoate Openeye Name: methyl 4,5-difluoro-2-isocyanato-benzoate CAS Name: 4,5-difluoro-2-isocyanatobenzoic acid methyl ester IUPAC Name: methyl 4,5-difluoro-2-isocyanatobenzoate Traditional Name: 4,5-difluoro-2-isocyanato-benzoic acid methyl ester Formula: C9H5F2NO3 MolecularWeight: 213.137706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5F2NO3/c1-15-9(14)5-2-6(10)7(11)3-8(5)12-4-13/h2-3H,1H3