Benzeneacetic acid,4-bromo-2-fluoro- (114897-92-6)

The 4-Bromo-2-fluorophenylacetic acid with the CAS number 114897-92-6 is also called Benzeneacetic acid,4-bromo-2-fluoro-. The IUPAC name is 2-(4-bromo-2-fluorophenyl)acetic acid. Its molecular formula is C₈H₆BrFO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 4-Bromo-2-fluorophenylacetic acid are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10.39; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 37.3 Å²; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 45.05 cm³; (14)Molar Volume: 137.2 cm³; (15)Polarizability: 17.85×10^-24cm³; (16)Surface Tension: 49 dyne/cm; (17)Enthalpy of Vaporization: 59.34 kJ/mol; (18)Vapour Pressure: 0.000132 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(F)c(CC(O)=O)cc1
(2)InChI: InChI=1/C8H6BrFO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
(3)InChIKey: PNBIYFPZODYMOO-UHFFFAOYAA