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CAS No.: | 40247-48-1 |
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Name: | 3-PYRIDINEMETHANOL, 2-FLUORO-A,A-DIMETHYL- |
Molecular Structure: | |
Formula: | C8H10FNO |
Molecular Weight: | 155.172 |
Synonyms: | 2-(2-fluoropyridin-3-yl)propan-2-ol |
Density: | 1.153 g/cm3 |
Boiling Point: | 259.369 °C at 760 mmHg |
Flash Point: | 110.663 °C |
Safety: | 24/25 |
PSA: | 33.12000 |
LogP: | 1.44810 |
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The 2-(2-Fluoropyridin-3-yl)propan-2-ol, with the CAS registry number 40247-48-1, has the molecular formula C8H10FNO. In addition, its molecular weight is 155.17. Its systematic name is called 2-(2-fluoro-3-pyridyl)propan-2-ol.
Physical properties of 2-(2-Fluoropyridin-3-yl)propan-2-ol: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.013; (4)ACD/LogD (pH 7.4): 1.013; (5)ACD/BCF (pH 5.5): 3.468; (6)ACD/BCF (pH 7.4): 3.468; (7)ACD/KOC (pH 5.5): 84.759; (8)ACD/KOC (pH 7.4): 84.759; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.501; (13)Molar Refractivity: 39.627 cm3; (14)Molar Volume: 134.554 cm3; (15)Surface Tension: 37.754 dyne/cm; (16)Density: 1.153 g/cm3; (17)Flash Point: 110.663 °C; (18)Enthalpy of Vaporization: 52.51 kJ/mol; (19)Boiling Point: 259.369 °C at 760 mmHg; (20)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(c1cccnc1F)O
(2)InChI: InChI=1/C8H10FNO/c1-8(2,11)6-4-3-5-10-7(6)9/h3-5,11H,1-2H3
(3)InChIKey: GVXPGLMUSNPHPA-UHFFFAOYAR