Molecule ID: 176947

IUPAC Name: 3-(3,4-dichloroanilino)-3-oxopropanoic acid

Description: The molecule is a dicarboxylic acid monoamide that is the mono-(3,4-dichloroanilide) of malonic acid. It is a monocarboxylic acid, a dicarboxylic acid monoamide and a dichlorobenzene. It derives from a malonamic acid. It is a conjugate acid of a N-(3,4-dichlorophenyl)malonamate.

SMILES: O=C(O)CC(O)=Nc1ccc(Cl)c(Cl)c1

SELFIES: [O][=C][Branch1][C][O][C][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]

InChI: InChI=1S/C9H7Cl2NO3/c10-6-2-1-5(3-7(6)11)12-8(13)4-9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 2.8