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898753-32-7

Basic Information
CAS No.: 898753-32-7
Name: Ethyl 4-(2-fluorophenyl)-4-oxobutyrate
Molecular Structure:
Molecular Structure of 898753-32-7 (Ethyl 4-(2-fluorophenyl)-4-oxobutyrate)
Formula: C12H13FO3
Molecular Weight: 224.232
Synonyms: Ethyl 4-(2-fluorophenyl)-4-oxo-butanoate;
Density: 1.151 g/cm3
Boiling Point: 324.2 °C at 760 mmHg
Flash Point: 145 °C
PSA: 43.37000
LogP: 2.35170
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  • Ethyl 4-(2-fluorophenyl)-4-oxobutyrate

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    898753-32-7

    Ethyl 4-(2-fluorophenyl)-4-oxobutyrate

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  • Ethyl 4-(2-fluorophenyl)-4-oxobutyrate

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  • ETHYL 4-(2-FLUOROPHENYL)-4-OXOBUTYRATE

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    ETHYL 4-(2-FLUOROPHENYL)-4-OXOBUTYRATE

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:Powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use as primary and sec

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  • 898753-32-7

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    898753-32-7

    898753-32-7

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    Compound sourcing ServicesAgency of testing serviceFactory audit serviceFounded in Dec. 1999, Nanjing Chemlin Chemical Industrial Co.,Ltd(CHEMLIN) has been covering the business scope from trading of chemicals to custom-synthesis & Manufacturing. Co

    Nanjing Chemlin Chemical Industry Co., Ltd was established in Aug,1999, located in the industrial park of Nanjing University of Technology, It is a private enterprises in Jiangsu P

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  • Ethyl 4-(2-fluorophenyl)-4-oxobutyrate

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    Ethyl 4-(2-fluorophenyl)-4-oxobutyrate

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

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Specification

With the CAS registry number 898753-32-7, the systematic name of Ethyl 4-(2-fluorophenyl)-4-oxobutyrate is ethyl 4-(2-fluorophenyl)-4-oxo-butanoate. In addition, its molecular formula is C12H13FO3 and molecular weight is 224.23.

The other characteristics of Ethyl 4-(2-fluorophenyl)-4-oxobutyrate can be summarized as: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 43.37 Å2; (9)Index of Refraction: 1.493; (10)Molar Refractivity: 56.58 cm3; (11)Molar Volume: 194.6 cm3; (12)Polarizability: 22.43×10-24cm3; (13)Surface Tension: 38 dyne/cm; (14)Density: 1.151 g/cm3; (15)Flash Point: 145 °C; (16)Enthalpy of Vaporization: 56.62 kJ/mol; (17)Boiling Point: 324.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00025 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(CCC(=O)OCC)c1ccccc1F
(2)InChI: InChI=1/C12H13FO3/c1-2-16-12(15)8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
(3)InChIKey: NIHGNYNVGSYZIG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C12H13FO3/c1-2-16-12(15)8-7-11(14)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
(5)Std. InChIKey: NIHGNYNVGSYZIG-UHFFFAOYSA-N