1-bromanyl-4-chloranyl-3,3-dimethyl-1-(2-methylphenoxy)butan-2-one

Systemtic Name: 1-bromanyl-4-chloranyl-3,3-dimethyl-1-(2-methylphenoxy)butan-2-one Openeye Name: 1-bromo-4-chloro-3,3-dimethyl-1-(2-methylphenoxy)butan-2-one CAS Name: 1-bromo-4-chloro-3,3-dimethyl-1-(2-methylphenoxy)-2-butanone IUPAC Name: 1-bromo-4-chloro-3,3-dimethyl-1-(2-methylphenoxy)butan-2-one Traditional Name: 1-bromo-4-chloro-3,3-dimethyl-1-(2-methylphenoxy)butan-2-one Formula: C13H16BrClO2 MolecularWeight: 319.62194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(C(=O)C(C)(C)CCl)Br

Isomeric SMILES

CC1=CC=CC=C1OC(C(=O)C(C)(C)CCl)Br

InChI

InChI=1S/C13H16BrClO2/c1-9-6-4-5-7-10(9)17-12(14)11(16)13(2,3)8-15/h4-7,12H,8H2,1-3H3