Benzene,5-bromo-1,3-difluoro-2-nitro- (147808-42-2)

The 5-Bromo-1,3-difluoro-2-nitrobenzene, with CAS registry number 147808-42-2, has the systematic name of 5-bromo-1,3-difluoro-2-nitrobenzene. Besides this, it is also called benzene, 5-bromo-1,3-difluoro-2-nitro-. And the chemical formula of this chemical is C₆H₂BrF₂NO₂.

Physical properties of 5-Bromo-1,3-difluoro-2-nitrobenzene: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.33; (6)ACD/BCF (pH 7.4): 21.33; (7)ACD/KOC (pH 5.5): 311.06; (8)ACD/KOC (pH 7.4): 311.06; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 40.47 cm³; (15)Molar Volume: 125.8 cm³; (16)Polarizability: 16.04×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Enthalpy of Vaporization: 48.33 kJ/mol; (19)Vapour Pressure: 0.0148 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Br)cc(F)c1[N+]([O-])=O
(2)InChI: InChI=1/C6H2BrF2NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
(3)InChIKey: ABAGKHWCTWMUDH-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H2BrF2NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
(5)Std. InChIKey: ABAGKHWCTWMUDH-UHFFFAOYSA-N