Benzoicacid, 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-,ethyl ester

The Chlorimuron-ethyl is a sulfonyl urea, and pyrimidine derivative. The IUPAC name of this chemical is ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate. With the CAS registry number 90982-32-4, it is also named as Ethyl 2-(((4-chloro-6-methoxypyrimidine-2-yl)aminocarbonyl)aminosulfonyl)benzoate. The classification codes are Agricultural Chemical; Drug / Therapeutic Agent; Herbicide. It is colorless crystals which is soluble in dimethylformamide and dioxane, slightly soluble in acetone and ethanol, insoluble in non-polar solvents such as benzene. What's more, it is used as an herbicide. Additioanlly, this chemical should be stored at the temperature of 2-6 °C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 2.54; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 19.65; (8)ACD/KOC (pH 7.4): 15.48; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 94.86 cm³; (14)Molar Volume: 277.7 cm³; (15)Polarizability: 37.6×10^-24 cm³; (16)Surface Tension: 65.2 dyne/cm; (17)Rotatable Bond Count: 7; (18)Tautomer Count: 7; (19)Exact Mass: 414.040083; (20)MonoIsotopic Mass: 414.040083; (21)Topological Polar Surface Area: 145; (22)Heavy Atom Count: 27; (23)Complexity: 628.

Preparation of Chlorimuron-ethyl: It can be obtained by the following reaction.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(Nc1nc(OC)cc(Cl)n1)NS(=O)(=O)c2ccccc2C(=O)OCC
2. InChI:InChI=1/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)

The following are the toxicity data which has been tested.