3-FLUORO-5-METHOXYPHENYLBORONIC ACID

The Boronic acid,B-(3-fluoro-5-methoxyphenyl)-, with the CAS registry number 609807-25-2, has the systematic name and IUPAC name of (3-fluoro-5-methoxyphenyl)boronic acid. It belongs to the following product categories: Methoxy; Blocks; BoronicAcids; FluoroCompounds; Alkoxy; Aryl; Organoborons; Boronic acid. And the molecular formula of the chemical is C₇H₈BFO₃.

The characteristics of Boronic acid,B-(3-fluoro-5-methoxyphenyl)- are as followings: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 9.53; (6)ACD/BCF (pH 7.4): 3.11; (7)ACD/KOC (pH 5.5): 173.49; (8)ACD/KOC (pH 7.4): 56.61; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 39.76 cm³; (15)Molar Volume: 134.3 cm³; (16)Polarizability: 15.76×10^-24cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 138.6 °C; (20)Enthalpy of Vaporization: 57.65 kJ/mol; (21)Boiling Point: 305.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000357 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(cc(OC)c1)B(O)O
(2)InChI: InChI=1/C7H8BFO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3
(3)InChIKey: MQFKLCWETPKBCH-UHFFFAOYAF