The Tordon 202C, with CAS registry number 6753-47-5, has the systematic name of 4-amino-3,5,6-trichloropyridine-2-carboxylic acid - 1,1',1''-nitrilotripropan-2-ol (1:1). Besides this, it is also called Triisopropanolamine picloram. And the chemical formula of this chemical is C15H24Cl3N3O5.
Physical properties of Tordon 202C: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.46; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 4.55; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 30.93 Å2; (13)Flash Point: 167 °C; (14)Enthalpy of Vaporization: 62.2 kJ/mol; (15)Boiling Point: 296.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000148 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(N)c(Cl)c(nc1Cl)C(=O)O.OC(C)CN(CC(O)C)CC(O)C
(2)InChI: InChI=1/C9H21NO3.C6H3Cl3N2O2/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-1-3(10)2(8)5(9)11-4(1)6(12)13/h7-9,11-13H,4-6H2,1-3H3;(H2,10,11)(H,12,13)
(3)InChIKey: XQVYHLBQRMKACP-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H21NO3.C6H3Cl3N2O2/c1-7(11)4-10(5-8(2)12)6-9(3)13;7-1-3(10)2(8)5(9)11-4(1)6(12)13/h7-9,11-13H,4-6H2,1-3H3;(H2,10,11)(H,12,13)
(5)Std. InChIKey: XQVYHLBQRMKACP-UHFFFAOYSA-N
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