2-Fluoro-5-methylphenylacetic acid (203314-27-6)

The 2-Fluoro-5-methylphenylacetic acid, with CAS registry number 203314-27-6, has the systematic name of (2-fluoro-5-methylphenyl)acetic acid. Besides this, it is also called benzeneacetic acid, 2-fluoro-5-methyl-. And the chemical formula of this chemical is C₉H₉FO₂.

Physical properties of 2-Fluoro-5-methylphenylacetic acid: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.59; (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: 1.526; (13)Molar Refractivity: 42.18 cm³; (14)Molar Volume: 137.3 cm³; (15)Polarizability: 16.72×10^-24cm³; (16)Surface Tension: 42.3 dyne/cm; (17)Enthalpy of Vaporization: 54.29 kJ/mol; (18)Vapour Pressure: 0.00246 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C)cc1CC(O)=O
(2)InChI: InChI=1/C9H9FO2/c1-6-2-3-8(10)7(4-6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
(3)InChIKey: CQFSSMCJXPLZAT-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H9FO2/c1-6-2-3-8(10)7(4-6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
(5)Std. InChIKey: CQFSSMCJXPLZAT-UHFFFAOYSA-N