propan-2-yl 4-bromanyl-2-methyl-benzoate

Systemtic Name: propan-2-yl 4-bromanyl-2-methyl-benzoate Openeye Name: isopropyl 4-bromo-2-methyl-benzoate CAS Name: 4-bromo-2-methylbenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-bromo-2-methylbenzoate Traditional Name: 4-bromo-2-methyl-benzoic acid isopropyl ester Formula: C11H13BrO2 MolecularWeight: 257.12372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C(=O)OC(C)C

InChI

InChI=1S/C11H13BrO2/c1-7(2)14-11(13)10-5-4-9(12)6-8(10)3/h4-7H,1-3H3