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| CAS No.: | 342617-07-6 |
|---|---|
| Name: | 4-HYDROXY-6-IODOQUINOLINE |
| Molecular Structure: | |
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| Formula: | C9H6INO |
| Molecular Weight: | 271.057 |
| Synonyms: | 4-Hydroxy-6-iodoquinoline;6-Iodoquinolin-4-ol; |
| Density: | 1.88 g/cm3 |
| Boiling Point: | 343.2 °C at 760 mmHg |
| Flash Point: | 161.4 °C |
| PSA: | 33.12000 |
| LogP: | 2.54500 |
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Specification
1.Introduction of 4-Quinolinol,6-iodo-
The 4-Quinolinol, 6-iodo-, with the CAS registry number of 342617-07-6, is also known as 4-Hydroxy-6-iodoquinoline and 6-Iodoquinolin-4-ol. This chemical's molecular formula is C9H6INO and molecular weight is 271.05. What's more, its IUPAC name is 6-Iodo-1H-quinolin-4-one.
2.Physical properties about 4-Quinolinol, 6-iodo-
(1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 565.65; (6)ACD/BCF (pH 7.4): 565.68; (7)ACD/KOC (pH 5.5): 3249.87; (8)ACD/KOC (pH 7.4): 3250.08; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 54.41 cm3; (15)Molar Volume: 144.1 cm3; (16)Surface Tension: 52.2 dyne/cm; (17)Density: 1.88 g/cm3; (18)Flash Point: 161.4 °C; (19)Enthalpy of Vaporization: 58.7 kJ/mol; (20)Boiling Point: 343.2 °C at 760 mmHg; (21)Vapour Pressure: 7.15E-05 mmHg at 25 °C.
3.Structure descriptors of 4-Quinolinol,6-iodo-
(1) SMILES: Ic2ccc1c(C(=O)\C=C/N1)c2
(2) InChI: InChI=1/C9H6INO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
(3) InChIKey: ZAZOVHUNVUSQMU-UHFFFAOYAZ