2-(2-chloranyl-6-fluoranyl-phenyl)-1-isothiocyanato-ethanone

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)-1-isothiocyanato-ethanone Openeye Name: 2-(2-chloro-6-fluoro-phenyl)acetyl isothiocyanate CAS Name: 2-(2-chloro-6-fluorophenyl)-1-isothiocyanatoethanone IUPAC Name: 2-(2-chloro-6-fluorophenyl)acetyl isothiocyanate Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-1-isothiocyanato-ethanone Formula: C9H5ClFNOS MolecularWeight: 229.658503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CC(=O)N=C=S)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CC(=O)N=C=S)F

InChI

InChI=1S/C9H5ClFNOS/c10-7-2-1-3-8(11)6(7)4-9(13)12-5-14/h1-3H,4H2