propan-2-yl 2-chloranyl-4-fluoranyl-5-isocyanato-benzoate

Systemtic Name: propan-2-yl 2-chloranyl-4-fluoranyl-5-isocyanato-benzoate Openeye Name: isopropyl 2-chloro-4-fluoro-5-isocyanato-benzoate CAS Name: 2-chloro-4-fluoro-5-isocyanatobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-4-fluoro-5-isocyanatobenzoate Traditional Name: 2-chloro-4-fluoro-5-isocyanato-benzoic acid isopropyl ester Formula: C11H9ClFNO3 MolecularWeight: 257.645463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)N=C=O

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)N=C=O

InChI

InChI=1S/C11H9ClFNO3/c1-6(2)17-11(16)7-3-10(14-5-15)9(13)4-8(7)12/h3-4,6H,1-2H3