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42771-79-9

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Basic Information
CAS No.: 42771-79-9
Name: 1-(2-fluoro[1,1'-biphenyl]-4-yl)ethan-1-one
Article Data: 9
Molecular Structure:
Molecular Structure of 42771-79-9 (1-(2-fluoro[1,1'-biphenyl]-4-yl)ethan-1-one)
Formula: C14H11FO
Molecular Weight: 214.239
Synonyms: 1-(2-Fluoro(1,1'-biphenyl)-4-yl)ethan-1-one;1-(3-fluoro-4-phenyl-phenyl)ethanone;4-Acetyl-2-fluorobphenyl;
EINECS: 255-935-9
Density: 1.124 g/cm3
Boiling Point: 321.8 °C at 760 mmHg
Flash Point: 132.7 °C
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Specification

The CAS register number of 1-(2-Fluoro(1,1-biphenyl)-4-yl)ethan-1-one is 42771-79-9. It also can be called as 4-Acetyl-2-fluorobphenyl and the IUPAC name about this chemical is 1-(3-fluoro-4-phenylphenyl)ethanone. The molecular formula about this chemical is C14H11FO and the molecular weight is 214.07.

Physical properties about 1-(2-Fluoro(1,1-biphenyl)-4-yl)ethan-1-one are: (1)ACD/LogP: 4.07; (2)ACD/LogD (pH 5.5): 4.07; (3)ACD/LogD (pH 7.4): 4.07; (4)ACD/BCF (pH 5.5): 725.92; (5)ACD/BCF (pH 7.4): 725.92; (6)ACD/KOC (pH 5.5): 3885.29; (7)ACD/KOC (pH 7.4): 3885.29; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.552; (12)Molar Refractivity: 60.86 cm3; (13)Molar Volume: 190.4 cm3; (14)Polarizability: 24.12x10-24cm3; (15)Surface Tension: 38 dyne/cm; (16)Density: 1.124 g/cm3; (17)Flash Point: 132.7 °C; (18)Enthalpy of Vaporization: 56.36 kJ/mol; (19)Boiling Point: 321.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000291 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc(ccc2c1ccccc1)C(=O)C
(2)InChI: InChI=1/C14H11FO/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h2-9H,1H3
(3)InChIKey: ZLKQQDFLPVWFDT-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H11FO/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h2-9H,1H3
(5)Std. InChIKey: ZLKQQDFLPVWFDT-UHFFFAOYSA-N