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2-Chloro-4-hydroxyphenylboronic acid

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Name

2-Chloro-4-hydroxyphenylboronic acid

EINECS N/A
CAS No. 766549-26-2 Density 1.49 g/cm3
PSA 60.69000 LogP -0.27460
Solubility N/A Melting Point N/A
Formula C6H6BClO3 Boiling Point 380.7 °C at 760 mmHg
Molecular Weight 172.37 Flash Point 184 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 766549-26-2 (2-Chloro-4-hydroxyphenylboronic acid) Hazard Symbols N/A
Synonyms

2-CHLORO-4-HYDROXYPHENYLBORONIC ACID

 

2-Chloro-4-hydroxyphenylboronic acid Specification

The 2-Chloro-4-hydroxyphenylboronic acid is an organic compound with the formula C6H6BClO3. The systematic name of this chemical is (2-chloro-4-hydroxy-phenyl)boronic acid. With the CAS registry number 766549-26-2, it is also named as boronic acid, B-(2-chloro-4-hydroxyphenyl)-.

Physical properties about 2-Chloro-4-hydroxyphenylboronic acid are: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): 1.77; (3)ACD/LogD (pH 7.4): 1.72; (4)#H bond acceptors: 3; (5)#H bond donors: 3; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 60.69 Å2; (8)Index of Refraction: 1.602; (9)Molar Refractivity: 39.64 cm3; (10)Molar Volume: 115.5 cm3; (11)Polarizability: 15.71×10-24cm3; (12)Surface Tension: 61.9 dyne/cm; (13)Density: 1.49 g/cm3; (14)Flash Point: 184 °C; (15)Enthalpy of Vaporization: 66.34 kJ/mol; (16)Boiling Point: 380.7 °C at 760 mmHg; (17)Vapour Pressure: 1.79E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1Cl)O)(O)O
(2)InChI: InChI=1/C6H6BClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9-11H
(3)InChIKey: NRBQMBXPVAUMJY-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H6BClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9-11H
(5)Std. InChIKey: NRBQMBXPVAUMJY-UHFFFAOYSA-N

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