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1072952-39-6

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Basic Information
CAS No.: 1072952-39-6
Name: 2-Chloro-3-fluoro-5-picoline-4-boronic acid
Molecular Structure:
Molecular Structure of 1072952-39-6 (2-Chloro-3-fluoro-5-picoline-4-boronic acid)
Formula: C6H6BClFNO2
Molecular Weight: 189.38
Synonyms: (2-Chloro-3-fluoro-5-methylpyridin-4-yl)boronic acid;2-Chloro-3-fluoro-5-methylpyridine-4-boronic acid;
Density: 1.434 g/cm3
Boiling Point: 357.932 °C at 760 mmHg
Flash Point: 170.272 °C
PSA: 53.35000
LogP: -0.13770
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Specification

The CAS registry number of 2-Chloro-3-fluoro-5-picoline-4-boronic acid is 1072952-39-6. This chemical's molecular formula is C6H6BClFNO2 and molecular weight is 189.3797. Its systematic name is called (2-chloro-3-fluoro-5-methyl-4-pyridyl)boronic acid.

Physical properties of 2-Chloro-3-fluoro-5-picoline-4-boronic acid: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): 1.175; (3)ACD/LogD (pH 7.4): 0.017; (4)ACD/BCF (pH 5.5): 4.4; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 95.33; (7)ACD/KOC (pH 7.4): 6.634; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 40.65 cm3; (13)Molar Volume: 132.043 cm3; (14)Surface Tension: 49.373 dyne/cm; (15)Density: 1.434 g/cm3; (16)Flash Point: 170.272 °C; (17)Enthalpy of Vaporization: 63.665 kJ/mol; (18)Boiling Point: 357.932 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1c(cnc(c1F)Cl)C)(O)O
(2)InChI: InChI=1/C6H6BClFNO2/c1-3-2-10-6(8)5(9)4(3)7(11)12/h2,11-12H,1H3
(3)InChIKey: NJMMLPABMFWKGC-UHFFFAOYAV