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

Systemtic Name: propan-2-yl 2-chloranyl-4-fluoranyl-5-isothiocyanato-benzoate Openeye Name: isopropyl 2-chloro-4-fluoro-5-isothiocyanato-benzoate CAS Name: 2-chloro-4-fluoro-5-isothiocyanatobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-4-fluoro-5-isothiocyanatobenzoate Traditional Name: 2-chloro-4-fluoro-5-isothiocyanato-benzoic acid isopropyl ester Formula: C11H9ClFNO2S MolecularWeight: 273.711063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9ClFNO2S/c1-6(2)16-11(15)7-3-10(14-5-17)9(13)4-8(7)12/h3-4,6H,1-2H3