CAS No.22931-71-1,ethyl 4-chloro-6-methoxy-quinoline-3-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22931-71-1
Name:	ethyl 4-chloro-6-methoxy-quinoline-3-carboxylate
Article Data:	23

Formula:	C₁₃H₁₂ClNO₃
Molecular Weight:	265.696
Synonyms:	4-Chloro-6-methoxyquinoline-3-carboxylicacid ethyl ester;Ethyl 4-chloro-6-methoxy-3-quinolinecarboxylate;Ethyl6-methoxy-4-chloro-3-quinolinecarboxylate;NSC 196908;3-Quinolinecarboxylic acid, 4-chloro-6-methoxy-, ethyl ester;4-Chloro-6-methoxy-quinoline-3-carboxylic acid ethyl ester;Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;Ethyl 4-chloro-6-methoxy-quinoline-3-carboxylate;
Density:	1.282 g/cm³
Melting Point:	88-90℃
Boiling Point:	366.9 °C at 760 mmHg
Flash Point:	175.7 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	48.42000
LogP:	3.07350

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Specification

This chemical is called Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate, and it can also be named as 4-Chloro-6-methoxy-quinoline-3-carboxylic acid ethyl ester. With the molecular formula of C₁₃H₁₂ClNO₃, its molecular weight is 265.69. In addition, the CAS number of this chemical is 22931-71-1. Moreover, this chemical is often used as intermediate.

Other characteristics of the Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate can be summarised as followings: (1)XLogP3-AA: 3; (2)Rotatable Bond Count: 4; (3)Exact Mass: 265.050571; (4)MonoIsotopic Mass: 265.050571; (5)Topological Polar Surface Area: 48.4; (6)Heavy Atom Count: 18; (7)Formal Charge: 0; (8)Complexity: 300; (9)Isotope Atom Count: 0; (10)Defined Atom StereoCenter Count: 0; (11)Undefined Atom StereoCenter Count: 0; (12)Defined Bond StereoCenter Count: 0; (13)Undefined Bond StereoCenter Count: 0; (14)Covalently-Bonded Unit Count: 1; (15)ACD/LogP: 3.12; (16)# of Rule of 5 Violations: 0 ; (17)#H bond acceptors: 4; (18)#H bond donors: 0; (19)#Freely Rotating Bonds: 4; (20)Polar Surface Area: 48.42 Å²; (21)Index of Refraction: 1.592; (22)Molar Refractivity: 70.16 cm³; (23)Molar Volume: 207.1 cm³; (24)Polarizability: 27.81×10^-24cm³; (25)Surface Tension: 47 dyne/cm; (26)Density: 1.282 g/cm³; (27)Flash Point: 175.7 °C; (28)Enthalpy of Vaporization: 61.34 kJ/mol; (29)Boiling Point: 366.9 °C at 760 mmHg; (30)Vapour Pressure: 1.42E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c2cc(OC)ccc2ncc1C(=O)OCC
(2)InChI: InChI=1/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
(3)InChIKey: QURGQUFEJWWDRF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-5-4-8(17-2)6-9(11)12(10)14/h4-7H,3H2,1-2H3
(5)Std. InChIKey: QURGQUFEJWWDRF-UHFFFAOYSA-N