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The CAS register number of 2,5,6-Trichloronicotinic acid is 54718-39-7. The systematic name about this chemical is 2,5,6-trichloropyridine-3-carboxylic acid. The molecular formula about this chemical is C6H2Cl3NO2 and molecular weight is 226.44.
Physical properties about 2,5,6-Trichloronicotinic acid are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): -0.84; (3)ACD/LogD (pH 7.4): -0.88; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 39.19Å2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 45.95 cm3; (14)Molar Volume: 131 cm3; (15)Polarizability: 18.21x10-24cm3; (16)Surface Tension: 64.3 dyne/cm; (17)Enthalpy of Vaporization: 63.8 kJ/mol; (18)Boiling Point: 359.1 °C at 760 mmHg; (19)Vapour Pressure: 8.82E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C(=O)O)c(Cl)nc1Cl
(2)InChI: InChI=1/C6H2Cl3NO2/c7-3-1-2(6(11)12)4(8)10-5(3)9/h1H,(H,11,12)
(3)InChIKey: XMJRZCYSCMZVJQ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H2Cl3NO2/c7-3-1-2(6(11)12)4(8)10-5(3)9/h1H,(H,11,12)
(5)Std. InChIKey: XMJRZCYSCMZVJQ-UHFFFAOYSA-N