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| CAS No.: | 866782-59-4 |
|---|---|
| Name: | 8-Fluoro-3-iodoquinoline |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H5FIN |
| Molecular Weight: | 273.048 |
| Synonyms: | 8-Fluoro-3-iodoquinoline |
| Density: | 1.908 g/cm3 |
| Boiling Point: | 324.4 °C at 760 mmHg |
| Flash Point: | 150 °C |
| PSA: | 12.89000 |
| LogP: | 2.97850 |
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Specification
The 8-Fluoro-3-iodoquinoline has CAS registry number 866782-59-4. This chemical's molecular formula is C9H5FIN and molecular weight is 273.05. What's more, its systematic name is 8-Fluoro-3-iodoquinoline.
Physical properties about 8-Fluoro-3-iodoquinoline are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 165.39; (6)ACD/BCF (pH 7.4): 165.39; (7)ACD/KOC (pH 5.5): 1347.76; (8)ACD/KOC (pH 7.4): 1347.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.696; (14)Molar Refractivity: 55.08 cm3; (15)Molar Volume: 143 cm3; (16)Surface Tension: 54.1 dyne/cm; (17)Density: 1.908 g/cm3; (18)Flash Point: 150 °C; (19)Enthalpy of Vaporization: 54.39 kJ/mol; (20)Boiling Point: 324.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000467 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc2cc(I)cnc12
(2) InChI: InChI=1/C9H5FIN/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-5H
(3) InChIKey: PFDRCQPNBZLTJQ-UHFFFAOYAQ