This chemical is called Benzene, 1-bromo-3-fluoro-2-nitro-, and it can also be named as 1-Bromo-3-fluoro-2-nitrobenzene. With the molecular formula of C6H3BrFNO2, its molecular weight is 219.995923. The CAS registry number of this chemical is 886762-70-5.
Other characteristics of the Benzene, 1-bromo-3-fluoro-2-nitro- can be summarised as followings: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.3; (6)ACD/BCF (pH 7.4): 30.3; (7)ACD/KOC (pH 5.5): 399.95; (8)ACD/KOC (pH 7.4): 399.95; (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: 1.579; (14)Molar Refractivity: 40.48 cm3; (15)Molar Volume: 121.6 cm3; (16)Polarizability: 16.04×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.808 g/cm3; (19)Flash Point: 94.1 °C; (20)Enthalpy of Vaporization: 44.96 kJ/mol; (21)Boiling Point: 232 °C at 760 mmHg; (22)Vapour Pressure: 0.092 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1c(F)cccc1Br
2.InChI: InChI=1/C6H3BrFNO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
3.InChIKey: VFPAOFBPEYCAAZ-UHFFFAOYAE
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