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1111637-73-0

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Basic Information
CAS No.: 1111637-73-0
Name: 3-PyridineMethanol, 5-broMo-2-fluoro-α-Methyl-
Article Data: 7
Molecular Structure:
Molecular Structure of 1111637-73-0 (3-PyridineMethanol, 5-broMo-2-fluoro-α-Methyl-)
Formula: C7H7BrFNO
Molecular Weight: 220.04
Synonyms: 3-Pyridinemethanol, 5-bromo-2-fluoro-α-methyl-;1-(5-Bromo-2-fluoro-3-pyridyl)ethan-1-ol;
Density: 1.641 g/cm3
Boiling Point: 288.881 °C at 760 mmHg
Flash Point: 128.511 °C
PSA: 33.12000
LogP: 2.03650
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Specification

This product is an organic compound with the formula C7H7BrFNO. The systematic name of this chemical is 1-(5-Bromo-2-fluoropyridin-3-yl)ethanol. With the CAS registry number 1111637-73-0, it is also named as 1-(5-Bromo-2-fluoro-3-pyridyl)ethan-1-ol. In addition, the molecular weight is 220.04. 

Physical properties of 1-(5-Bromo-2-fluoropyridin-3-yl)ethanol are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.004; (4)ACD/LogD (pH 7.4): 2.004; (5)ACD/BCF (pH 5.5): 19.625; (6)ACD/BCF (pH 7.4): 19.625; (7)ACD/KOC (pH 5.5): 293.094; (8)ACD/KOC (pH 7.4): 293.092; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 43.115 cm3; (15)Molar Volume: 134.123 cm3; (16)Polarizability: 17.092×10-24cm3; (17)Surface Tension: 46.921 dyne/cm; (18)Density: 1.641 g/cm3; (19)Flash Point: 128.511 °C; (20)Enthalpy of Vaporization: 55.78 kJ/mol; (21)Boiling Point: 288.881 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(c1cc(cnc1F)Br)O
(2)InChI: InChI=1S/C7H7BrFNO/c1-4(11)6-2-5(8)3-10-7(6)9/h2-4,11H,1H3
(3)InChIKey: WWCXWHCEIGTHSO-UHFFFAOYSA-N