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3-Quinolinecarboxylicacid, 4-chloro-7-methoxy-, ethyl ester (77156-85-5)

Identification
Name:3-Quinolinecarboxylicacid, 4-chloro-7-methoxy-, ethyl ester
Synonyms:4-Chloro-3-ethoxycarbonyl-7-methoxyquinoline;Ethyl 4-chloro-7-methoxy-3-quinolinecarboxylate;Ethyl7-methoxy-4-chloro-3-quinolinecarboxylate;
CAS:77156-85-5
Molecular Formula: C13H12ClNO3
Molecular Weight: 265.70
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
Molecular Structure: (C13H12ClNO3) 4-Chloro-3-ethoxycarbonyl-7-methoxyquinoline;Ethyl 4-chloro-7-methoxy-3-quinolinecarboxylate;Ethyl7-...
Properties
Density:1.282 g/cm3
Refractive index:1.592
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

Safety Data