Ethanone,2-bromo-1-(2,5-difluorophenyl)- (258513-41-6)

The 2,5-Difluorophenacyl bromide, with the CAS registry number 258513-41-6, has the systematic name of 2-bromo-1-(2,5-difluorophenyl)ethanone. It belongs to the product category of Benzene series. And the molecular formula of the chemical is C₈H₅BrF₂O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 19.14; (6)ACD/BCF (pH 7.4): 19.14; (7)ACD/KOC (pH 5.5): 287.86; (8)ACD/KOC (pH 7.4): 287.86; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 44 cm³; (15)Molar Volume: 142.5 cm³; (16)Polarizability: 17.44×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.648 g/cm³; (19)Flash Point: 102.4 °C; (20)Enthalpy of Vaporization: 48.29 kJ/mol; (21)Boiling Point: 245.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0282 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cc(F)ccc1F)CBr
(2)InChI: InChI=1/C8H5BrF2O/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
(3)InChIKey: SFUWMFXQRHHPJP-UHFFFAOYAK