Basic Information | Post buying leads | Suppliers |
The CAS registry number of 6-(Methylsulfonyl)pyridine-3-boronic acid is 1088496-41-6. This chemical is also known as 2-(Methylsulfonyl)pyridine-5-boronic acid. The molecular formula of it is C6H8BNO4S and molecular weight is 201.00802. Its systematic name is called (6-methylsulfonyl-3-pyridyl)boronic acid.
Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.94; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.568; (9)Molar Refractivity: 44.531 cm3; (10)Molar Volume: 136.057 cm3; (11)Surface Tension: 64.258 dyne/cm; (12)Density: 1.477 g/cm3; (13)Flash Point: 248.555 °C; (14)Enthalpy of Vaporization: 79.339 kJ/mol; (15)Boiling Point: 487.373 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(nc1)S(=O)(=O)C)(O)O
(2)InChI: InChI=1/C6H8BNO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
(3)InChIKey: OBWIRUCBMIYFBP-UHFFFAOYAV