Molecule ID: 27375

IUPAC Name: 3-(3-chloro-4-methylphenyl)-1,1-dimethylurea

Description: The molecule is a member of the class of phenylureas that is urea in which one of the nitrogens is substituted by two methyl groups while the other is substituted by a 3-chloro-4-methylphenyl group. A herbicide that is non-toxic to honeybees but moderately toxic to mammals, birds, earthworms and most aquatic organisms. It has a role as a xenobiotic, an environmental contaminant, an agrochemical and a herbicide. It is a member of monochlorobenzenes and a member of phenylureas.

SMILES: Cc1ccc(N=C(O)N(C)C)cc1Cl

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

InChI: InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)

Molecular Properties:
- Polar Surface Area: 32.299 Ų
- LogP: 2.4