The 1-Chloro-2-(difluoromethyl)-3-fluorobenzene, with the CAS registry number 63878-72-8, is also known as Benzene, 4-chloro-2-(difluoromethyl)-1-fluoro-. This chemical's molecular formula is C7H4ClF3 and molecular weight is 180.55. What's more, its systematic name is called 4-Chloro-2-(difluoromethyl)-1-fluoro-benzene.
Physical properties about 1-Chloro-2-(difluoromethyl)-3-fluorobenzene are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)#H bond acceptors: 0; (6) #H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: Å2; (9)Index of Refraction: 1.457; (10) Molar Refractivity: 36.38 cm3; (11)Molar Volume: 133.5 cm3; (12)Surface Tension: 27.1 dyne/cm; (13) Density: 1.351 g/cm3; (14)Flash Point: 53.7 °C; (15)Enthalpy of Vaporization: 37.74 kJ/mol; (16)Boiling Point: 156.9 °C at 760 mmHg; (17)Vapour Pressure: 3.65 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c(cc1Cl)C(F)F)F
(2) InChI: InChI=1/C7H4ClF3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H
(3) InChIKey: CUIWMSBGEDMQLZ-UHFFFAOYAJ
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