CAS No.82671-03-2,ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	82671-03-2
Name:	ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
Article Data:	3

Formula:	C₈H₆Cl₂FNO₂
Molecular Weight:	238.046
Synonyms:	2,6-Dichloro-5-fluoronicotinicacid ethyl ester;Ethyl 2,6-dichloro-5-fluoronicotinate;
Density:	1.441 g/cm³
Boiling Point:	285.594 °C at 760 mmHg
Flash Point:	126.523 °C
PSA:	39.19000
LogP:	2.70420

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Specification

The 3-Pyridinecarboxylicacid, 2,6-dichloro-5-fluoro-, ethyl ester, with the CAS registry number 82671-03-2, is also known as 2,6-Dichloro-5-fluoronicotinic acid ethyl ester. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₈H₆Cl₂FNO₂ and molecular weight is 238.0431432. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate.

Physical properties about 3-Pyridinecarboxylicacid, 2,6-dichloro-5-fluoro-, ethyl ester are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 70; (6)ACD/BCF (pH 7.4): 70; (7)ACD/KOC (pH 5.5): 728; (8)ACD/KOC (pH 7.4): 728; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 50.534 cm³; (15)Molar Volume: 165.168 cm³; (16)Surface Tension: 43.804 dyne/cm; (17)Density: 1.441 g/cm³; (18)Flash Point: 126.523 °C; (19)Enthalpy of Vaporization: 52.465 kJ/mol; (20)Boiling Point: 285.594 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(C(=O)OCC)c(Cl)nc1Cl
(2) InChI: InChI=1/C8H6Cl2FNO2/c1-2-14-8(13)4-3-5(11)7(10)12-6(4)9/h3H,2H2,1H3
(3) InChIKey: FPPLCOWQBGOFDU-UHFFFAOYAI