The 1-(3-Bromo-2,4-difluorophenyl)ethanone, with the CAS registry number 1210824-63-7, is also known as Ethanone, 1-(3-bromo-2,4-difluorophenyl)-. This chemical's molecular formula is C8H5BrF2O and molecular weight is 233.95. What's more, its systematic name is called 1-(3-Bromo-2,4-difluoro-phenyl)ethanone.
Physical properties about 1-(3-Bromo-2,4-difluorophenyl)ethanone are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.757; (4)ACD/LogD (pH 7.4): 1.757; (5)ACD/BCF (pH 5.5): 12.745; (6)ACD/BCF (pH 7.4): 12.745; (7)ACD/KOC (pH 5.5): 215.193; (8)ACD/KOC (pH 7.4): 215.193; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 43.959 cm3; (15)Molar Volume: 145.568 cm3; (16)Surface Tension: 36.256 dyne/cm; (17)Density: 1.615 g/cm3; (18)Flash Point: 108.266 °C; (19)Enthalpy of Vaporization: 49.288 kJ/mol; (20)Boiling Point: 255.406 °C at 760 mmHg; (21)Vapour Pressure: 0.016 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1ccc(c(c1F)Br)F
(2) InChI: InChI=1S/C8H5BrF2O/c1-4(12)5-2-3-6(10)7(9)8(5)11/h2-3H,1H3
(3) InChIKey: NOQZJPYTXYUMAU-UHFFFAOYSA-N
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