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Basic Information
CAS No.: 871329-82-7
Name: 3-FLUORO-5-HYDROXYBENZENEBORONIC ACID
Molecular Structure:
Molecular Structure of 871329-82-7 (3-FLUORO-5-HYDROXYBENZENEBORONIC ACID)
Formula: C6H6BFO3
Molecular Weight: 155.921
Synonyms: Boronicacid, (3-fluoro-5-hydroxyphenyl)- (9CI);(3-Fluoro-5-hydroxyphenyl)boronic acid;
Density: 1.42 g/cm3
Melting Point: 54-62 °C
Boiling Point: 380 °C at 760 mmHg
Flash Point: 183.6 °C
Solubility: Slightly soluble in water.
PSA: 60.69000
LogP: -0.78890
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Specification

The Boronic acid, B-(3-fluoro-5-hydroxyphenyl)-, with the CAS registry number of 871329-82-7, is also known as 3-Fluoro-5-hydroxybenzeneboronic acid. It belongs to the product categories of Blocks; Boronicacids; Fluorocompounds. This chemical's molecular formula is C6H6BFO3 and molecular weight is 155.92. What's more, its systematic name is called (3-Fluoro-5-hydroxy-phenyl)boronic acid.

Physical properties about Boronic acid, B-(3-fluoro-5-hydroxyphenyl)- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.03; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 60.69 Å2; (9)Index of Refraction: 1.552; (10)Molar Refractivity: 34.92 cm3; (11)Molar Volume: 109.1 cm3; (12)Polarizability: 13.84×10-24 cm3; (13)Surface Tension: 52.8 dyne/cm; (14)Density: 1.42 g/cm3; (15)Flash Point: 183.6 °C; (16)Enthalpy of Vaporization: 66.25 kJ/mol; (17)Boiling Point: 380 °C at 760 mmHg; (18)Melting Point: 54-62 °C; (19)Vapour Pressure: 1.89E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cc(cc(c1)F)O)(O)O
(2) InChI: InChI=1/C6H6BFO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9-11H
(3) InChIKey: RMBFBZIEXCTPDB-UHFFFAOYAF