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698378-91-5

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Basic Information
CAS No.: 698378-91-5
Name: alpha,alpha-Difluoro-2-furanacetic acid ethyl ester
Article Data: 5
Molecular Structure:
Molecular Structure of 698378-91-5 (alpha,alpha-Difluoro-2-furanacetic acid ethyl ester)
Formula: C8H8F2O3
Molecular Weight: 190.1441
Synonyms: Ethyl difluoro(2-furyl)acetate;
Density: 1.24 g/cm3
Boiling Point: 219.443 °C at 760 mmHg
Flash Point: 86.517 °C
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  • ETHYL 2,2-DIFLUORO-2-(FURAN-2-YL)ACETATE

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Specification

The Ethyl 2, 2-difluoro-2-(furan-2-yl)acetate, with the CAS registry number 698378-91-5, is also known as Ethyl difluoro(2-furyl)acetate. This chemical's molecular formula is C8H8F2O3 and molecular weight is 190.1441. What's more, its systematic name is Ethyl 2, 2-difluoro-2-(2-furyl)acetate.

Physical properties about Ethyl 2, 2-difluoro-2-(furan-2-yl)acetate are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.915; (6)ACD/BCF (pH 7.4): 24.915; (7)ACD/KOC (pH 5.5): 347.696; (8)ACD/KOC (pH 7.4): 347.696; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 39.042 cm3; (15)Molar Volume: 153.293 cm3; (16)Polarizability: 15.477×10-24 cm3; (17)Surface Tension: 28.132 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 86.517 °C; (20)Enthalpy of Vaporization: 45.585 kJ/mol; (21)Boiling Point: 219.443 °C at 760 mmHg; (22)Vapour Pressure: 0.119 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C(c1ccco1)(F)F
(2) InChI: InChI=1/C8H8F2O3/c1-2-12-7(11)8(9,10)6-4-3-5-13-6/h3-5H,2H2,1H3
(3) InChIKey: UFNHKEQFAYJESB-UHFFFAOYAZ