Molecule ID: 3120

IUPAC Name: 3-(3,4-dichlorophenyl)-1,1-dimethylurea

Description: The molecule is a member of the class of phenylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. It has a role as a herbicide, a photosystem-II inhibitor, a xenobiotic and an environmental contaminant. It is a dichlorobenzene and a member of phenylureas.

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

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

InChI: InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

Molecular Properties:
- Polar Surface Area: 32.299 Ų
- LogP: 2.7