The Pyridine, 2-chloro-3-nitro-6-(trifluoromethyl)- has CAS registry number 117519-08-1. This chemical's molecular formula is C6H2ClF3N2O2 and molecular weight is 226.54. What's more, its IUPAC name is 2-Chloro-3-nitro-6-(trifluoromethyl)pyridine.
Physical properties about Pyridine, 2-chloro-3-nitro-6-(trifluoromethyl)- are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 109; (8)ACD/KOC (pH 7.4): 109; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.71 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 40.765 cm3; (15)Molar Volume: 139.96 cm3; (16)Polarizability: 16.16×10-24 cm3; (17)Surface Tension: 39.099 dyne/cm; (18)Density: 1.619 g/cm3; (19)Flash Point: 100.432 °C; (20)Enthalpy of Vaporization: 46.001 kJ/mol; (21)Boiling Point: 242.453 °C at 760 mmHg; (22)Vapour Pressure: 0.053 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(nc(c1N(=O)=O)Cl)C(F)(F)F
(2) InChI: InChI=1/C6H2ClF3N2O2/c7-5-3(12(13)14)1-2-4(11-5)6(8,9)10/h1-2H
(3) InChIKey: RBLRRZSRLXGELK-UHFFFAOYAJ
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