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Name |
1,3-Cyclohexanedione,5-(2-fluorophenyl)- |
EINECS | N/A |
CAS No. | 102821-72-7 | Density | 1.228 g/cm3 |
PSA | 34.14000 | LogP | 2.23140 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H11FO2 | Boiling Point | 335.6 °C at 760 mmHg |
Molecular Weight | 206.21 | Flash Point | 128.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-(2-Fluorophenyl)cyclohexane-1,3-dione; |
Article Data | 1 |
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