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CAS No.: | 435345-05-4 |
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Name: | (3-Chloro-2-oxo-2H-pyrazin-1-yl)-acetic acid ethyl ester |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H9ClN2O3 |
Molecular Weight: | 216.624 |
Synonyms: | MDPI-056; |
Density: | 1.372 g/cm3 |
Boiling Point: | 313.245 °C at 760 mmHg |
Flash Point: | 143.246 °C |
PSA: | 72.05000 |
LogP: | 0.52890 |
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The Ethyl 2-(3-chloro-2-oxohydropyrazinyl)acetate is an organic compound with the formula C8H9ClN2O3. The systematic name of this chemical is Ethyl (3-chloro-2-oxopyrazin-1(2H)-yl)acetate. With the CAS registry number 435345-05-4, it is also named as Ethyl 2-(3-chloro-2-oxopyrazin-1(2H)-yl)acetate. Besides, its molecular weight is 216.62166.
Physical properties about Ethyl 2-(3-chloro-2-oxohydropyrazinyl)acetate are: (1)ACD/LogP: 0.24; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 58.97 Å2; (5)Index of Refraction: 1.564; (6)Molar Refractivity: 51.381 cm3; (7)Molar Volume: 157.875 cm3; (8)Polarizability: 20.369×10-24 cm3; (9)Surface Tension: 47.353 dyne/cm; (10)Density: 1.372 g/cm3; (11)Flash Point: 143.246 °C; (12)Enthalpy of Vaporization: 55.431 kJ/mol; (13)Boiling Point: 313.245 °C at 760 mmHg; (14)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H9ClN2O3/c1-2-14-6(12)5-11-4-3-10-7(9)8(11)13/h3-4H,2,5H2,1H3
(2)InChIKey: XXDGQFANXYGUKC-UHFFFAOYAV
(3)Std. InChI: InChI=1S/C8H9ClN2O3/c1-2-14-6(12)5-11-4-3-10-7(9)8(11)13/h3-4H,2,5H2,1H3
(4)Std. InChIKey: XXDGQFANXYGUKC-UHFFFAOYSA-N