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Basic Information
CAS No.: 6560-83-4
Name: 2-IODOQUINOLINE
Molecular Structure:
Molecular Structure of 6560-83-4 (2-IODOQUINOLINE)
Formula: C9H6IN
Molecular Weight: 255.058
Synonyms: 2-Iodoquinoline;NSC 56811;
Density: 1.837 g/cm3
Melting Point: >300 °C
Boiling Point: 320.7 °C at 760 mmHg
Flash Point: 147.8 °C
PSA: 12.89000
LogP: 2.83940
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Specification

The Quinoline, 2-iodo-, with CAS registry number 6560-83-4, has the systematic name of 2-iodoquinoline. Besides this, it is also called 2-Iodo-quinoline. And the chemical formula of this chemical is C9H6IN.

Physical properties of Quinoline, 2-iodo-: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 120.32; (6)ACD/BCF (pH 7.4): 120.34; (7)ACD/KOC (pH 5.5): 1073.24; (8)ACD/KOC (pH 7.4): 1073.39; (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: 1.724; (14)Molar Refractivity: 55.09 cm3; (15)Molar Volume: 138.8 cm3; (16)Polarizability: 21.84×10-24cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.837 g/cm3; (19)Flash Point: 147.8 °C; (20)Enthalpy of Vaporization: 54 kJ/mol; (21)Boiling Point: 320.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000585 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1nc2ccccc2cc1
(2)InChI: InChI=1/C9H6IN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
(3)InChIKey: FRWYFWZENXDZMU-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H6IN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
(5)Std. InChIKey: FRWYFWZENXDZMU-UHFFFAOYSA-N