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77771-05-2

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Basic Information
CAS No.: 77771-05-2
Name: 2-(4-fluoro-3-phenoxyphenyl)-1,3-dioxolane
Article Data: 1
Molecular Structure:
Molecular Structure of 77771-05-2 (2-(4-fluoro-3-phenoxyphenyl)-1,3-dioxolane)
Formula: C15H13FO3
Molecular Weight: 260.265
Synonyms: 2-(3-Phenoxy-4-fluorophenyl)-1,3-dioxolane;2-(4-fluoro-3-phenoxyphenyl)-1,3-dioxolane;2-(3-Phenoxy-4-fluorophenyl)-1,3-dioxolane;1,3-dioxolane, 2-(4-fluoro-3-phenoxyphenyl)-;
Density: 1.241 g/cm3
Boiling Point: 336.304 °C at 760 mmHg
Flash Point: 165.25 °C
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Specification

The 1,3-Dioxolane,2-(4-fluoro-3-phenoxyphenyl)-, with the CAS registry number 77771-05-2, has the systematic name of 2-(4-fluoro-3-phenoxyphenyl)-1,3-dioxolane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C15H13FO3.

The characteristics of 1,3-Dioxolane,2-(4-fluoro-3-phenoxyphenyl)- are as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.561; (8)Molar Refractivity: 67.927 cm3; (9)Molar Volume: 209.783 cm3; (10)Polarizability: 26.928×10-24cm3; (11)Surface Tension: 44.224 dyne/cm; (12)Density: 1.241 g/cm3; (13)Flash Point: 165.25 °C; (14)Enthalpy of Vaporization: 55.648 kJ/mol; (15)Boiling Point: 336.304 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc2c(Oc1ccccc1)cc(cc2)C3OCCO3
(2)InChI: InChI=1/C15H13FO3/c16-13-7-6-11(15-17-8-9-18-15)10-14(13)19-12-4-2-1-3-5-12/h1-7,10,15H,8-9H2
(3)InChIKey: BOIKPJKVWFRGMY-UHFFFAOYAD