3-chloranyl-1-isocyanato-2-methyl-propan-1-one

Systemtic Name: 3-chloranyl-1-isocyanato-2-methyl-propan-1-one Openeye Name: 3-chloro-2-methyl-propanoyl isocyanate CAS Name: 3-chloro-1-isocyanato-2-methyl-1-propanone IUPAC Name: 3-chloro-2-methylpropanoyl isocyanate Traditional Name: 3-chloro-1-isocyanato-2-methyl-propan-1-one Formula: C5H6ClNO2 MolecularWeight: 147.55964

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCl)C(=O)N=C=O

Isomeric SMILES

CC(CCl)C(=O)N=C=O

InChI

InChI=1S/C5H6ClNO2/c1-4(2-6)5(9)7-3-8/h4H,2H2,1H3