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| CAS No.: | 77173-67-2 |
|---|---|
| Name: | ETHYL 4-CHLORO-8-CYANOQUINOXALINE-3-CARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C13H9ClN2O2 |
| Molecular Weight: | 260.68 |
| Synonyms: | 4-Chloro-8-cyanoquinoline-3-carboxylic acid ethyl ester;Ethyl4-chloro-8-cyanoquinoline-3-carboxylate; |
| Density: | 1.37 g/cm3 |
| Boiling Point: | 398.2 °C at 760 mmHg |
| Flash Point: | 194.6 °C |
| PSA: | 62.98000 |
| LogP: | 2.93658 |
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Specification
The 3-Quinolinecarboxylicacid, 4-chloro-8-cyano-, ethyl ester, with the CAS registry number 77173-67-2, is also known as 4-Chloro-8-cyanoquinoline-3-carboxylic acid ethyl ester. This chemical's molecular formula is C13H9ClN2O2 and molecular weight is 260.68. What's more, its systematic name is ethyl 4-chloro-8-cyanoquinoline-3-carboxylate.
Physical properties of 3-Quinolinecarboxylicacid, 4-chloro-8-cyano-, ethyl ester are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 62.98 Å2; (7)Index of Refraction: 1.624; (8)Molar Refractivity: 67.24 cm3; (9)Molar Volume: 190.2 cm3; (10)Polarizability: 26.65×10-24cm3; (11)Surface Tension: 62.2 dyne/cm; (12)Density: 1.37 g/cm3; (13)Flash Point: 194.6 °C; (14)Enthalpy of Vaporization: 64.88 kJ/mol; (15)Boiling Point: 398.2 °C at 760 mmHg; (16)Vapour Pressure: 1.5E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cccc2c(Cl)c(cnc12)C(=O)OCC
(2)Std. InChI: InChI=1S/C13H9ClN2O2/c1-2-18-13(17)10-7-16-12-8(6-15)4-3-5-9(12)11(10)14/h3-5,7H,2H2,1H3
(3)Std. InChIKey: MHOFAUCLSGVKOH-UHFFFAOYSA-N