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The Quinoline,2-chloro-6-iodo-, with the CAS registry number 124467-20-5, has the systematic name of 2-chloro-6-iodoquinoline. It belongs to the following product categories: Quinoline series; Chiral Chemicals; Halides; Quinolines, Isoquinolines & Quinoxalines. And the molecular formula of the chemical is C9H5ClIN.
The characteristics of Quinoline,2-chloro-6-iodo- are as followings: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.77; (4)ACD/LogD (pH 7.4): 3.77; (5)ACD/BCF (pH 5.5): 429.58; (6)ACD/BCF (pH 7.4): 429.58; (7)ACD/KOC (pH 5.5): 2668.91; (8)ACD/KOC (pH 7.4): 2668.92; (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: 1.726; (14)Molar Refractivity: 59.98 cm3; (15)Molar Volume: 150.7 cm3; (16)Polarizability: 23.78×10-24cm3; (17)Surface Tension: 58.3 dyne/cm; (18)Density: 1.919 g/cm3; (19)Flash Point: 165.1 °C; (20)Enthalpy of Vaporization: 57.03 kJ/mol; (21)Boiling Point: 349.3 °C at 760 mmHg; (22)Vapour Pressure: 9.56E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1ccc2nc(Cl)ccc2c1
(2)InChI: InChI=1/C9H5ClIN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
(3)InChIKey: UGLKNANWWDCXKD-UHFFFAOYAJ