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CAS No.: | 929250-35-1 |
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Name: | 2-Benzyloxy-pyridine-5-boronic acid |
Molecular Structure: | |
Formula: | C12H12BNO3 |
Molecular Weight: | 229.043 |
Synonyms: | 2-Benzyloxypyridine-5-boronic acid; |
Density: | 1.25 g/cm3 |
Melting Point: | 107-110 °C |
Boiling Point: | 423.4 °C at 760 mmHg |
Flash Point: | 209.8 °C |
Hazard Symbols: | Xi |
PSA: | 62.58000 |
LogP: | 0.34040 |
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The 6-(Benzyloxy)pyridine-3-boronic acid, with the CAS registry number 929250-35-1, is also known as 2-Benzyloxypyridine-5-boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Pyridines. This chemical's molecular formula is C12H12BNO3 and molecular weight is 229.04. Its systematic name is called [6-(benzyloxy)pyridin-3-yl]boronic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of 6-(Benzyloxy)pyridine-3-boronic acid: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 29.62; (5)ACD/BCF (pH 7.4): 2.01; (6)ACD/KOC (pH 5.5): 372.42; (7)ACD/KOC (pH 7.4): 25.33; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 62.16 cm3; (13)Molar Volume: 182.6 cm3; (14)Surface Tension: 56 dyne/cm; (15)Density: 1.25 g/cm3; (16)Flash Point: 209.8 °C; (17)Enthalpy of Vaporization: 71.44 kJ/mol; (18)Boiling Point: 423.4 °C at 760 mmHg; (19)Vapour Pressure: 6.35E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2cnc(OCc1ccccc1)cc2
(2)InChI: InChI=1/C12H12BNO3/c15-13(16)11-6-7-12(14-8-11)17-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2
(3)InChIKey: CUZOGAUUSKBDAO-UHFFFAOYAW