Ethanone,2-[[4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]oxy]-1-phenyl- (71561-11-0)

The 2-((4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-1h-pyrazol-5-yl)oxy)-1-phenylethanone, with the CAS registry number 71561-11-0, has the IUPAC name of 2-[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl]oxy-1-phenylethanone.

The physical properties of this chemical are as follows: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 291.67; (6)ACD/BCF (pH 7.4): 291.67; (7)ACD/KOC (pH 5.5): 2022.9; (8)ACD/KOC (pH 7.4): 2022.9; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 61.19; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 106 cm³; (15)Molar Volume: 302.3 cm³; (16)Polarizability: 42.02×10^-24 cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 316.6 °C; (20)Enthalpy of Vaporization: 89.31 kJ/mol; (21)Boiling Point: 599.9 °C at 760 mmHg; (22)Vapour Pressure: 2.37E-14 mmHg at 25°C; (23)Exact Mass: 402.053798; (24)MonoIsotopic Mass: 402.053798; (25)Topological Polar Surface Area: 61.2; (26)Heavy Atom Count: 27; (27)Complexity: 541.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OCC(=O)C3=CC=CC=C3)C
(2)InChI: InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)
23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
(3)InChIKey: FKERUJTUOYLBKB-UHFFFAOYSA-N 

Below are the toxicity information of this chemical: