1-chloranyl-3-fluoranyl-2-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]benzene

Systemtic Name: 1-chloranyl-3-fluoranyl-2-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]benzene Openeye Name: 1-chloro-3-fluoro-2-[(2S)-2-isocyanato-2-(p-tolyl)ethyl]benzene CAS Name: 1-chloro-3-fluoro-2-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]benzene IUPAC Name: 1-chloro-3-fluoro-2-[(2S)-2-isocyanato-2-(4-methylphenyl)ethyl]benzene Traditional Name: 1-chloro-3-fluoro-2-[(2S)-2-isocyanato-2-(p-tolyl)ethyl]benzene Formula: C16H13ClFNO MolecularWeight: 289.731923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=C(C=CC=C2Cl)F)N=C=O

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC2=C(C=CC=C2Cl)F)N=C=O

InChI

InChI=1S/C16H13ClFNO/c1-11-5-7-12(8-6-11)16(19-10-20)9-13-14(17)3-2-4-15(13)18/h2-8,16H,9H2,1H3/t16-/m0/s1