CAS No.197376-47-9,2-CHLOROPYRIDINE-5-ACETIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	197376-47-9
Name:	2-CHLOROPYRIDINE-5-ACETIC ACID ETHYL ESTER

Formula:	C₉H₁₀ClNO₂
Molecular Weight:	199.637
Synonyms:	(6-Chloropyridin-3-yl)aceticacid ethyl ester;2-Chloropyridine-5-acetic acid ethyl ester;Ethyl(6-chloropyridin-3-yl)acetate;Ethyl 2-(6-chloropyridin-3-yl)acetate;
Density:	1.217 g/cm³
Boiling Point:	285.8 °C at 760 mmHg
Flash Point:	126.6 °C
PSA:	39.19000
LogP:	1.84060

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Specification

The 3-Pyridineacetic acid,6-chloro-, ethyl ester, with the CAS registry number 197376-47-9, is also known as Ethyl (6-chloropyridin-3-yl)acetate. It belongs to the product categories of Pyridine; Pyridines. This chemical's molecular formula is C₉H₁₀ClNO₂ and molecular weight is 199.63. What's more, its systematic name is called Ethyl 2-(6-chloropyridin-3-yl)acetate.

Physical properties about 3-Pyridineacetic acid,6-chloro-, ethyl ester are: (1) ACD/LogP: 1.68; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.68; (4) ACD/LogD (pH 7.4): 1.68; (5) ACD/BCF (pH 5.5): 11.07; (6) ACD/BCF (pH 7.4): 11.07; (7) ACD/KOC (pH 5.5): 194.49; (8) ACD/KOC (pH 7.4): 194.49; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 39.19 Å²; (13) Index of Refraction: 1.519; (14) Molar Refractivity: 49.82 cm³; (15) Molar Volume: 163.9 cm³; (16) Surface Tension: 42.3 dyne/cm; (17) Density: 1.217 g/cm³; (18)Flash Point: 126.6 °C; (19) Enthalpy of Vaporization: 52.48 kJ/mol; (20) Boiling Point: 285.8 °C at 760 mmHg; (21) Vapour Pressure: 0.00275 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(CC(=O)OCC)cn1
(2) InChI: InChI=1/C9H10ClNO2/c1-2-13-9(12)5-7-3-4-8(10)11-6-7/h3-4,6H,2,5H2,1H3
(3) InChIKey: HNMKCAOYIPYXRD-UHFFFAOYAD