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745833-19-6

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Basic Information
CAS No.: 745833-19-6
Name: Ethyl 2-(2,4-difluorophenyl)-6-chloronicotinate
Article Data: 2
Molecular Structure:
Molecular Structure of 745833-19-6 (Ethyl 2-(2,4-difluorophenyl)-6-chloronicotinate)
Formula: C14H10ClF2NO2
Molecular Weight: 297.689
Synonyms: Ethyl 2-(2,4-difluorophenyl)-6-chloronicotinate;
Density: 1.336 g/cm3
Boiling Point: 371.4 °C at 760 mmHg
Flash Point: 178.4 °C
PSA: 39.19000
LogP: 3.85690
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Specification

The Ethyl 2-(2,4-difluorophenyl)-6-chloronicotinate with the CAS number 745833-19-6 is also called 3-Pyridinecarboxylicacid, 6-chloro-2-(2,4-difluorophenyl)-, ethyl ester. The systematic name is ethyl 6-chloro-2-(2,4-difluorophenyl)pyridine-3-carboxylate. Its molecular formula is C14H10ClF2NO2. The product category is Heterocyclic Compounds.

The properties of the Ethyl 2-(2,4-difluorophenyl)-6-chloronicotinate are: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 777.42; (6)ACD/BCF (pH 7.4): 777.42; (7)ACD/KOC (pH 5.5): 4080.68; (8)ACD/KOC (pH 7.4): 4080.68; (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: 1.543; (14)Molar Refractivity: 70.22 cm3; (15)Molar Volume: 222.7 cm3; (16)Polarizability: 27.83×10-24cm3; (17)Surface Tension: 42.7 dyne/cm; (18)Enthalpy of Vaporization: 61.84 kJ/mol; (19)Vapour Pressure: 1.03×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccc(Cl)nc1c2ccc(F)cc2F
(2)InChI: InChI=1/C14H10ClF2NO2/c1-2-20-14(19)10-5-6-12(15)18-13(10)9-4-3-8(16)7-11(9)17/h3-7H,2H2,1H3
(3)InChIKey: JPJLYIZLSBBOKF-UHFFFAOYAY