Benzene,1,2-dibromo-4-(trifluoromethoxy)- (1682-06-0)

The 1-Bromo-3-fluoro-4-trifluoromethoxybenzene, with CAS registry number 1682-06-0, belongs to the following product category: Trifluoroanisole series. It has the systematic name of 4-bromo-2-fluoro-1-(trifluoromethoxy)benzene. And the chemical formula of this chemical is C₇H₃BrF₄O.

Physical properties of 1-Bromo-3-fluoro-4-trifluoromethoxybenzene: (1)ACD/LogP: 4.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.19; (4)ACD/LogD (pH 7.4): 4.19; (5)ACD/BCF (pH 5.5): 904.4; (6)ACD/BCF (pH 7.4): 904.4; (7)ACD/KOC (pH 5.5): 4547.4; (8)ACD/KOC (pH 7.4): 4547.4; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 41.07 cm³; (15)Molar Volume: 150.2 cm³; (16)Polarizability: 16.28×10^-24cm³; (17)Surface Tension: 27.8 dyne/cm; (18)Enthalpy of Vaporization: 39.47 kJ/mol; (19)Vapour Pressure: 1.55 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(F)c(OC(F)(F)F)cc1
(2)InChI: InChI=1/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
(3)InChIKey: SBSFDYRKNUCGBZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H3BrF4O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H
(5)Std. InChIKey: SBSFDYRKNUCGBZ-UHFFFAOYSA-N