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102821-72-7

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Basic Information
CAS No.: 102821-72-7
Name: 5-(2-FLUORO-PHENYL)-CYCLOHEXANE-1,3-DIONE
Article Data: 1
Molecular Structure:
Molecular Structure of 102821-72-7 (5-(2-FLUORO-PHENYL)-CYCLOHEXANE-1,3-DIONE)
Formula: C12H11FO2
Molecular Weight: 206.21
Synonyms: 5-(2-Fluorophenyl)cyclohexane-1,3-dione;
Density: 1.228 g/cm3
Boiling Point: 335.6 °C at 760 mmHg
Flash Point: 128.6 °C
PSA: 34.14000
LogP: 2.23140
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Specification

The 1,3-Cyclohexanedione,5-(2-fluorophenyl)- has the CAS registry number 102821-72-7. This chemical's molecular formula is C12H11FO2 and molecular weight is 206.21. What's more, its systematic name is 5-(2-Fluorophenyl)cyclohexane-1,3-dione.

Physical properties of 1,3-Cyclohexanedione,5-(2-fluorophenyl)- are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4):; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.8; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 52.36 cm3; (15)Molar Volume: 167.8 cm3; (16)Polarizability: 20.76×10-24 cm3; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.228 g/cm3; (19)Flash Point: 128.6 °C; (20)Enthalpy of Vaporization: 57.87 kJ/mol; (21)Boiling Point: 335.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1C2CC(=O)CC(=O)C2
(2)InChI: InChI=1S/C12H11FO2/c13-12-4-2-1-3-11(12)8-5-9(14)7-10(15)6-8/h1-4,8H,5-7H2
(3)InChIKey: RMEWCTHODLROAM-UHFFFAOYSA-N