2-(4-chlorophenyl)-4-isocyanato-cyclohexan-1-one

Systemtic Name: 2-(4-chlorophenyl)-4-isocyanato-cyclohexan-1-one Openeye Name: 2-(4-chlorophenyl)-4-isocyanato-cyclohexanone CAS Name: 2-(4-chlorophenyl)-4-isocyanato-1-cyclohexanone IUPAC Name: 2-(4-chlorophenyl)-4-isocyanatocyclohexan-1-one Traditional Name: 2-(4-chlorophenyl)-4-isocyanato-cyclohexanone Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(CC1N=C=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1CC(=O)C(CC1N=C=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClNO2/c14-10-3-1-9(2-4-10)12-7-11(15-8-16)5-6-13(12)17/h1-4,11-12H,5-7H2