Name: 8-Fluoro-3-iodoquinoline
SKU: 866782-59-4

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Basic Information

Molecular Structure:
CAS No.:	866782-59-4
Name:	8-Fluoro-3-iodoquinoline
Article Data:	6

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