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1072952-34-1

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Basic Information
CAS No.: 1072952-34-1
Name: 2-Picoline-3-boronic acid HCl
Molecular Structure:
Molecular Structure of 1072952-34-1 (2-Picoline-3-boronic acid HCl)
Formula: C6H9BClNO2
Molecular Weight: 195.0
Synonyms: 2-METHYLPYRIDIN-3-YLBORONIC ACID HYDROCHLORIDE;2-PICOLINE-3-BORONIC ACID HCL;2-Picoline-3-boronic acid hydrochloride;2-Methylpyridine-3-boronic acid hydrochloride, 97%
Boiling Point: 330.9 °C at 760 mmHg
Flash Point: 153.9 °C
Hazard Symbols: IrritantXi
PSA: 53.35000
LogP: -0.12820
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Specification

The 2-Picoline-3-boronic acid HCl, with CAS registry number 1072952-34-1, has the systematic name of (2-methyl-3-pyridyl)boronic acid hydrochloride. Besides this, it is also called Boronic acid, B-(2-methyl-3-pyridinyl)-, hydrochloride (1:1). And the chemical formula of this chemical is C6H9BClNO2.

Physical properties of 2-Picoline-3-boronic acid HCl: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)#H bond acceptors: 3; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 53.35 Å2; (8)Flash Point: 153.9 °C; (9)Enthalpy of Vaporization: 60.54 kJ/mol; (10)Boiling Point: 330.9 °C at 760 mmHg; (11)Vapour Pressure: 6.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccnc1C)(O)O.Cl
(2)InChI: InChI=1/C6H8BNO2.ClH/c1-5-6(7(9)10)3-2-4-8-5;/h2-4,9-10H,1H3;1H
(3)InChIKey: OAMCCRLFDPJOPN-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H8BNO2.ClH/c1-5-6(7(9)10)3-2-4-8-5;/h2-4,9-10H,1H3;1H
(5)Std. InChIKey: OAMCCRLFDPJOPN-UHFFFAOYSA-N