4-(4-bromophenyl)-4-isocyanato-cyclohexan-1-one

Systemtic Name: 4-(4-bromophenyl)-4-isocyanato-cyclohexan-1-one Openeye Name: 4-(4-bromophenyl)-4-isocyanato-cyclohexanone CAS Name: 4-(4-bromophenyl)-4-isocyanato-1-cyclohexanone IUPAC Name: 4-(4-bromophenyl)-4-isocyanatocyclohexan-1-one Traditional Name: 4-(4-bromophenyl)-4-isocyanato-cyclohexanone Formula: C13H12BrNO2 MolecularWeight: 294.14388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1=O)(C2=CC=C(C=C2)Br)N=C=O

Isomeric SMILES

C1CC(CCC1=O)(C2=CC=C(C=C2)Br)N=C=O

InChI

InChI=1S/C13H12BrNO2/c14-11-3-1-10(2-4-11)13(15-9-16)7-5-12(17)6-8-13/h1-4H,5-8H2