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80151-28-6

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Basic Information
CAS No.: 80151-28-6
Name: 3-(4-FLUORO-PHENYL)-PROP-2-YN-1-OL
Article Data: 60
Molecular Structure:
Molecular Structure of 80151-28-6 (3-(4-FLUORO-PHENYL)-PROP-2-YN-1-OL)
Formula: C9H7FO
Molecular Weight: 150.152
Synonyms: 3-(4-Fluorophenyl)-2-propyn-1-ol;
Density: 1.2 g/cm3
Boiling Point: 236.7 °C at 760 mmHg
Flash Point: 109.7 °C
Hazard Symbols: Xi
PSA: 20.23000
LogP: 1.16950
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Specification

The 2-Propyn-1-ol,3-(4-fluorophenyl)- is an organic compound with the formula C9H7FO. With the CAS registry number 80151-28-6, the systematic name of this chemical is 3-(4-fluorophenyl)prop-2-yn-1-ol.

Physical properties about 2-Propyn-1-ol,3-(4-fluorophenyl)- are: (1)ACD/LogP: 2.38; (2)ACD/LogD (pH 5.5): 2.38; (3)ACD/LogD (pH 7.4): 2.38; (4)ACD/BCF (pH 5.5): 37.65; (5)ACD/BCF (pH 7.4): 37.65; (6)ACD/KOC (pH 5.5): 467.27; (7)ACD/KOC (pH 7.4): 467.27; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 40.3 cm3; (14)Molar Volume: 125 cm3; (15)Polarizability: 15.97×10-24cm3; (16)Surface Tension: 45.9 dyne/cm; (17)Density: 1.2 g/cm3; (18)Flash Point: 109.7 °C; (19)Enthalpy of Vaporization: 50.04 kJ/mol; (20)Boiling Point: 236.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0256 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C#CCO)cc1
(2)InChI: InChI=1/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2
(3)InChIKey: ZROXSIPANMVWHB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2
(5)Std. InChIKey: ZROXSIPANMVWHB-UHFFFAOYSA-N