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| CAS No.: | 77156-85-5 |
|---|---|
| Name: | Ethyl 4-chloro-7-methoxyquinoline- 3-carboxylate |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C13H12ClNO3 |
| Molecular Weight: | 265.696 |
| Synonyms: | 4-Chloro-3-ethoxycarbonyl-7-methoxyquinoline;Ethyl 4-chloro-7-methoxy-3-quinolinecarboxylate;Ethyl7-methoxy-4-chloro-3-quinolinecarboxylate; |
| Density: | 1.282 g/cm3 |
| Boiling Point: | 366.9 °C at 760 mmHg |
| Flash Point: | 175.7 °C |
| PSA: | 48.42000 |
| LogP: | 3.07350 |
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- Total:28 Page 1 of 1 1
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Specification
The Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate with the CAS number 77156-85-5 is also called 3-Quinolinecarboxylicacid, 4-chloro-7-methoxy-, ethyl ester. Its molecular formula is C13H12ClNO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 48.42 Å2; (7)Index of Refraction: 1.592; (8)Molar Refractivity: 70.16 cm3; (9)Molar Volume: 207.1 cm3; (10)Polarizability: 27.81×10-24cm3; (11)Surface Tension: 47 dyne/cm; (12)Enthalpy of Vaporization: 61.34 kJ/mol; (13)Vapour Pressure: 1.42×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c2ccc(OC)cc2ncc1C(=O)OCC
(2)InChI: InChI=1/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-6-8(17-2)4-5-9(11)12(10)14/h4-7H,3H2,1-2H3
(3)InChIKey: IXMRUGGFGJIANG-UHFFFAOYAO