The 1,4-Bis(4-fluorobenzoyl)benzene with the cas number 68418-51-9 is also called benzene-1,4-diylbis[(4-fluorophenyl)methanone]. The molecular formula of this chemical is C20H12F2O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3795; (6)ACD/BCF (pH 7.4): 3795; (7)ACD/KOC (pH 5.5): 12694; (8)ACD/KOC (pH 7.4): 12694; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 85.826 cm3; (15)Molar Volume: 254.083 cm3; (16)Polarizability: 34.024×10-24cm3; (17)Surface Tension: 45.747 dyne/cm; (18)Enthalpy of Vaporization: 73.068 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(F)cc1)c3ccc(C(=O)c2ccc(F)cc2)cc3
(2)InChI: InChI=1/C20H12F2O2/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12H
(3)InChIKey: LLJNTLUXOZPFQB-UHFFFAOYAO
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