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37041-32-0

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Basic Information
CAS No.: 37041-32-0
Name: ETHYL 4-CHLORO-8-METHYLQUINOXALINE-3-CARBOXYLATE
Article Data: 4
Molecular Structure:
Molecular Structure of 37041-32-0 (ETHYL 4-CHLORO-8-METHYLQUINOXALINE-3-CARBOXYLATE)
Formula: C13H12ClNO2
Molecular Weight: 249.697
Synonyms: 3-Quinolinecarboxylic acid, 4-chloro-8-methyl-, ethyl ester;
Density: 1.252 g/cm3
Boiling Point: 346.4 °C at 760 mmHg
Flash Point: 163.3 °C
PSA: 39.19000
LogP: 3.37330
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Specification

The Ethyl 4-chloro-8-methylquinoline-3-carboxylate, with the CAS registry number 37041-32-0, is also known as 3-Quinolinecarboxylic acid, 4-chloro-8-methyl-, ethyl ester. This chemical's molecular formula is C13H12ClNO2 and molecular weight is 249.6929. What's more, its systematic name is Ethyl 4-chloro-8-methylquinoline-3-carboxylate.

Physical properties about Ethyl 4-chloro-8-methylquinoline-3-carboxylate are: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 68.31 cm3; (9)Molar Volume: 199.3 cm3; (10)Polarizability: 27.08×10-24 cm3; (11)Surface Tension: 47.4 dyne/cm; (12)Density: 1.252 g/cm3; (13)Flash Point: 163.3 °C; (14)Enthalpy of Vaporization: 59.06 kJ/mol; (15)Boiling Point: 346.4 °C at 760 mmHg; (16)Vapour Pressure: 5.77E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c2cccc(c2ncc1C(=O)OCC)C
(2) InChI: InChI=1/C13H12ClNO2/c1-3-17-13(16)10-7-15-12-8(2)5-4-6-9(12)11(10)14/h4-7H,3H2,1-2H3
(3) InChIKey: PGGVUZUNDXCMSS-UHFFFAOYAB