1-bromanyl-3-methyl-benzene; 3-(dimethylamino)-2-methyl-propanoic acid

Systemtic Name: 1-bromanyl-3-methyl-benzene; 3-(dimethylamino)-2-methyl-propanoic acid Openeye Name: 1-bromo-3-methyl-benzene; 3-(dimethylamino)-2-methyl-propanoic acid CAS Name: 1-bromo-3-methylbenzene; 3-(dimethylamino)-2-methylpropanoic acid IUPAC Name: 1-bromo-3-methylbenzene; 3-(dimethylamino)-2-methylpropanoic acid Traditional Name: 1-bromo-3-methyl-benzene; 3-(dimethylamino)-2-methyl-propionic acid Formula: C13H20BrNO2 MolecularWeight: 302.2074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)Br.CC(CN(C)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)Br.CC(CN(C)C)C(=O)O

InChI

InChI=1S/C7H7Br.C6H13NO2/c1-6-3-2-4-7(8)5-6;1-5(6(8)9)4-7(2)3/h2-5H,1H3;5H,4H2,1-3H3,(H,8,9)