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140369-67-1

Basic Information
CAS No.: 140369-67-1
Name: 4-(4-Fluorophenyl)phenylboronic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 140369-67-1 (4-(4-Fluorophenyl)phenylboronic acid)
Formula: C12H10BFO2
Molecular Weight: 216.02
Synonyms: Boronicacid, (4'-fluoro[1,1'-biphenyl]-4-yl)- (9CI);[4-(4-Fluorophenyl)phenyl]boronicacid;
Density: 1.257 g/cm3
Boiling Point: 382.309 °C at 760 mmHg
Flash Point: 185.014 °C
PSA: 40.46000
LogP: 1.17250
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Specification

The Boronic acid,B-(4'-fluoro[1,1'-biphenyl]-4-yl)-, with the CAS registry number 140369-67-1, has the systematic name of (4'-fluorobiphenyl-4-yl)boronic acid. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C12H10BFO2.

The characteristics of Boronic acid,B-(4'-fluoro[1,1'-biphenyl]-4-yl)- are as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 183; (6)ACD/BCF (pH 7.4): 171; (7)ACD/KOC (pH 5.5): 1449; (8)ACD/KOC (pH 7.4): 1356; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 58.107 cm3; (15)Molar Volume: 171.868 cm3; (16)Polarizability: 23.035×10-24cm3; (17)Surface Tension: 47.463 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 185.014 °C; (20)Enthalpy of Vaporization: 66.528 kJ/mol; (21)Boiling Point: 382.309 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C. 
   
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(cc1)c2ccc(cc2)B(O)O
(2)InChI: InChI=1/C12H10BFO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
(3)InChIKey: KHMFYFVXTICBEL-UHFFFAOYAN