ISOXAFLUTOLE

The Methanone,(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]- is an organic compound with the formula C₁₅H₁₂F₃NO₄S. The IUPAC name of this chemical is (5-cyclopropyl-1, 2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone. With the CAS registry number 141112-29-0, it is also named as 4-(2-Methanesulphonyl-4-trifluoromethylbenzoyl)-5-cyclopropyl Isoxazole. The product's classification code is Herbicide.

Physical properties about Methanone,(5-cyclopropyl-4-isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 1.67; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 11.04; (5)ACD/BCF (pH 7.4): 11.04; (6)ACD/KOC (pH 5.5): 194.14; (7)ACD/KOC (pH 7.4): 194.14; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 85.62 Å²; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 76.74 cm³; (13)Molar Volume: 246.8 cm³; (14)Polarizability: 30.42×10^-24cm³; (15)Surface Tension: 45.2 dyne/cm; (16)Density: 1.455 g/cm³; (17)Flash Point: 301.6 °C; (18)Enthalpy of Vaporization: 86.14 kJ/mol; (19)Boiling Point: 575.1 °C at 760 mmHg; (20)Vapour Pressure: 3.15E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Besides, this chemical is possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing and gloves. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(onc1)C2CC2)c3ccc(cc3S(=O)(=O)C)C(F)(F)F
(2)InChI: InChI=1/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
(3)InChIKey: OYIKARCXOQLFHF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
(5)Std. InChIKey: OYIKARCXOQLFHF-UHFFFAOYSA-N