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CAS No.: | 943541-40-0 |
---|---|
Name: | ethyl2,2-difluoro-2-(quinolin-6-yl)acetate |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C13H11F2NO2 |
Molecular Weight: | 251.233 |
Synonyms: | 6-Quinolineacetic acid, α,α-difluoro-, ethyl ester; |
Density: | 1.269 g/cm3 |
Boiling Point: | 348.7 °C at 760 mmHg |
Flash Point: | 164.7 °C |
PSA: | 39.19000 |
LogP: | 2.88970 |
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The Ethyl 2,2-difluoro-2-(quinolin-6-yl)acetate, with the CAS registry number 943541-40-0, is also known as 6-Quinolineacetic acid, α,α-difluoro-, ethyl ester. This chemical's molecular formula is C13H11F2NO2 and molecular weight is 251.23. Its systematic name is called ethyl 2,2-difluoro-2-(6-quinolyl)acetate.
Physical properties of Ethyl 2,2-difluoro-2-(quinolin-6-yl)acetate: (1)ACD/LogP: 2.97; (2)ACD/LogD (pH 5.5): 2.95; (3)ACD/LogD (pH 7.4): 2.97; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.546; (7)Molar Refractivity: 62.67 cm3; (8)Molar Volume: 197.8 cm3; (9)Surface Tension: 39.8 dyne/cm; (10)Density: 1.269 g/cm3; (11)Flash Point: 164.7 °C; (12)Enthalpy of Vaporization: 59.31 kJ/mol; (13)Boiling Point: 348.7 °C at 760 mmHg; (14)Vapour Pressure: 4.93E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C(F)(F)c1ccc2ncccc2c1
(2)InChI: InChI=1/C13H11F2NO2/c1-2-18-12(17)13(14,15)10-5-6-11-9(8-10)4-3-7-16-11/h3-8H,2H2,1H3
(3)InChIKey: JKSSVYBANQTVNY-UHFFFAOYAC