| Identification | |
| Name: | 2(1H)-Naphthalenone,7-fluoro-3,4-dihydro- |
| Synonyms: | 7-Fluoro-2-tetralone;7-fluoro-3,4-dihydro-1h-naphthalen-2-one;5-Fluoro-3,4-dihydronaphthalen-2(1H)-one;Zinc04202736; |
| CAS: | 29419-15-6 |
| Molecular Formula: | C10H9 F O |
| Molecular Weight: | 164.18 |
| InChI: | InChI=1/C10H9FO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.198 |
| Refractive index: | 1.542 |
| Specification: |
The 7-Fluoro-2-tetralone with cas registry number of 29419-15-6, is also called 7-Fluoro-2-tetralone ; 7-fluoro-3,4-dihydro-1h-naphthalen-2-one . Physical properties of 7-Fluoro-2-tetralone : (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.22; (6)ACD/BCF (pH 7.4): 13.22; (7)ACD/KOC (pH 5.5): 220.87; (8)ACD/KOC (pH 7.4): 220.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 43.16 cm3; (15)Molar Volume: 136.9 cm3; (16)Polarizability: 17.11×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Enthalpy of Vaporization: 50.35 kJ/mol; (19)Vapour Pressure: 0.00911 mmHg at 25°C . You can still convert the following datas into molecular structure: (1)SMILES:Fc1ccc2c(c1)CC(=O)CC2; (2)InChI:InChI=1/C10H9FO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2; (3)InChIKey:NQMQVBHBOBSOSZ-UHFFFAOYAY; (4)Std. InChI:InChI=1S/C10H9FO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2; (5)Std. InChIKey:NQMQVBHBOBSOSZ-UHFFFAOYSA-N . |
| Safety Data | |
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