Benzoic acid,4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]- (185119-76-0)

The Iodosulfuron-methyl with the CAS number 185119-76-0 is also called Benzoic acid,4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-. The systematic name is methyl 4-iodo-2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}benzoic acid. Its molecular formula is C₁₃H₁₂IN₅O₆S. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Iodosulfuron-methyl are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 1 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 11; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 168.85 Å²; (11)Index of Refraction: 1.674; (12)Molar Refractivity: 95.913 cm³; (13)Molar Volume: 255.545 cm³; (14)Polarizability: 38.023×10^-24cm³; (15)Surface Tension: 85.39 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(c(C(=O)O)cc1)S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C
(2)InChI: InChI=1/C13H12IN5O6S/c1-6-15-11(18-13(16-6)25-2)17-12(22)19-26(23,24)9-5-7(14)3-4-8(9)10(20)21/h3-5H,1-2H3,(H,20,21)(H2,15,16,17,18,19,22)
(3)InChIKey: MBFHUWCOCCICOK-UHFFFAOYAI