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CAS No.: | 1072952-41-0 |
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Name: | 2-BENZYLOXYPYRIDIN-3-YLBORONIC ACID |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H12BNO3 |
Molecular Weight: | 229.043 |
Synonyms: | 2-Benzyloxypyridin-3-ylboronic acid;(2-Benzyloxy-3-pyridyl)boronic acid;2-(Benzyloxy)pyridine-3-boronic acid; |
Density: | 1.25 g/cm3 |
Melting Point: | 145-147 °C |
Boiling Point: | 433.4 °C at 760 mmHg |
Flash Point: | 215.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 62.58000 |
LogP: | 0.34040 |
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The 2-Benzyloxypyridine-3-boronic acid, with the CAS registry number 1072952-41-0, is also known as 2-Benzyloxypyridin-3-ylboronic acid. This chemical's molecular formula is C12H12BNO3 and molecular weight is 229.04. What's more, its systematic name is (2-benzyloxy-3-pyridyl)boronic acid.
Physical properties of 2-Benzyloxypyridine-3-boronic acid are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 1.03; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 62.58 Å2; (9)Index of Refraction: 1.596; (10)Molar Refractivity: 62.16 cm3; (11)Molar Volume: 182.6 cm3; (12)Polarizability: 24.64×10-24cm3; (13)Surface Tension: 56 dyne/cm; (14)Density: 1.25 g/cm3; (15)Flash Point: 215.9 °C; (16)Enthalpy of Vaporization: 72.67 kJ/mol; (17)Boiling Point: 433.4 °C at 760 mmHg; (18)Vapour Pressure: 2.78E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2cccnc2OCc1ccccc1
(2)InChI: InChI=1S/C12H12BNO3/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h1-8,15-16H,9H2
(3)InChIKey: YTIGWZQYGHOXOB-UHFFFAOYSA-N