Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-,methyl ester, (aE)- (117428-22-5)

The IUPAC name of Picoxystrobin is Methyl(E)-3-methoxy-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]prop-2-enoate. With the CAS registry number 117428-22-5, it is also named as Benzeneacetic acid, a-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-,methyl ester, (aE)-. The product's molecular formula is C₁₈H₁₆F₃NO₄, and molecular weight is 367.32.

The other characteristics of Picoxystrobin can be summarized as: (1)ACD/LogP: 4.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.08; (4)ACD/LogD (pH 7.4): 4.08; (5)ACD/BCF (pH 5.5): 739.87; (6)ACD/BCF (pH 7.4): 739.87; (7)ACD/KOC (pH 5.5): 3938.61; (8)ACD/KOC (pH 7.4): 3938.61; (9)H bond acceptors: 5; (10)H bond donors: 0; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 57.65 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 87.8 cm³; (15)Molar Volume: 288 cm³; (16)Polarizability: 34.8×10^-24cm³; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.275 g/cm³; (19)Flash Point: 227.9 °C; (20)Enthalpy of Vaporization: 71.25 kJ/mol; (21)Boiling Point: 453.1 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-08 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: Picoxystrobin is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. So please avoid release to the environment. Refer to special instructions / safety data sheets. In addition, this material and its container must be disposed of as hazardous waste.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)c2nc(OCc1ccccc1C(=C\OC)/C(=O)OC)ccc2
(2)InChI:InChI=1/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+
(3)InChIKey:IBSNKSODLGJUMQ-SDNWHVSQBF
(4)Std. InChI:InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+
(5)Std. InChIKey:IBSNKSODLGJUMQ-SDNWHVSQSA-N