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The 3-Pyridinemethanol,6-bromo-, with the CAS registry number 122306-01-8, has the systematic name and IUPAC name of (6-bromopyridin-3-yl)methanol. It belongs to the product categories of Building Blocks and Pyridine. And the molecular formula of the chemical is C6H6BrNO.
The characteristics of 3-Pyridinemethanol,6-bromo- are as followings: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 22.12 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 38.48 cm3; (9)Molar Volume: 112.6 cm3; (10)Polarizability: 15.25×10-24cm3; (11)Surface Tension: 54 dyne/cm; (12)Density: 1.668 g/cm3; (13)Flash Point: 143.9 °C; (14)Enthalpy of Vaporization: 58.64 kJ/mol; (15)Boiling Point: 314.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0002 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ncc1CO)Br
(2)InChI: InChI=1/C6H6BrNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
(3)InChIKey: QPPDKOIDAYZUHN-UHFFFAOYAC