The 2-Bromo-4,5-difluorophenylacetic acid, with CAS registry number 883502-07-6, belongs to the following product category: Phenylacetic acid. It has the systematic name of (2-bromo-4,5-difluorophenyl)acetic acid. And the chemical formula of this chemical is C8H5BrF2O2.
Physical properties of 2-Bromo-4,5-difluorophenylacetic acid: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.549; (8)Molar Refractivity: 45.04 cm3; (9)Molar Volume: 141.4 cm3; (10)Polarizability: 17.85×10-24cm3; (11)Surface Tension: 46.9 dyne/cm; (12)Density: 1.774 g/cm3; (13)Flash Point: 143.1 °C; (14)Enthalpy of Vaporization: 58.49 kJ/mol; (15)Boiling Point: 313 °C at 760 mmHg; (16)Vapour Pressure: 0.000218 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(F)c(F)cc1CC(=O)O
(2)InChI: InChI=1/C8H5BrF2O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
(3)InChIKey: FQSLXVRCDYUESO-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H5BrF2O2/c9-5-3-7(11)6(10)1-4(5)2-8(12)13/h1,3H,2H2,(H,12,13)
(5)Std. InChIKey: FQSLXVRCDYUESO-UHFFFAOYSA-N
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