METHYL 4-FLUORO-2-HYDROXYBENZOATE

The 4-fluoro-6-hydroxy-benzoic acid methyl ester is an organic compound with the formula C₈H₇FO₃. The systematic name of this chemical is methyl 4-fluoro-2-hydroxybenzoate. With the CAS registry number 392-04-1, it is also named as 4-Fluoro-6-hydroxy-benzoic acid methyl ester. The product's categories are Benzoic Acid; Acids & Esters; Fluorine Compounds; Phenols.

Physical properties about 4-fluoro-6-hydroxy-benzoic acid methyl ester are: (1)ACD/LogP: 2.71; (2)ACD/LogD (pH 5.5): 2.71; (3)ACD/LogD (pH 7.4): 2.69; (4)ACD/BCF (pH 5.5): 67.79; (5)ACD/BCF (pH 7.4): 64.99; (6)ACD/KOC (pH 5.5): 711.69; (7)ACD/KOC (pH 7.4): 682.28; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 39.9 cm³; (14)Molar Volume: 129.9 cm³; (15)Polarizability: 15.81×10^-24cm³; (16)Surface Tension: 43.7 dyne/cm; (17)Density: 1.309 g/cm³; (18)Flash Point: 89.7 °C; (19)Enthalpy of Vaporization: 47.99 kJ/mol; (20)Boiling Point: 224.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0603 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(F)cc1O
(2)InChI: InChI=1/C8H7FO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3
(3)InChIKey: WPWUDDDJTIZBGL-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7FO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3
(5)Std. InChIKey: WPWUDDDJTIZBGL-UHFFFAOYSA-N