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Basic Information
CAS No.: 99361-10-1
Name: 6-(IODOMETHYL)-QUINOLINE
Molecular Structure:
Molecular Structure of 99361-10-1 (6-(IODOMETHYL)-QUINOLINE)
Formula: C10H8IN
Molecular Weight: 269.085
Synonyms: 6-(Iodomethyl)-quinoline;
Density: 1.771 g/cm3
Boiling Point: 344.2 °C at 760 mmHg
Flash Point: 162 °C
PSA: 12.89000
LogP: 3.16980
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Specification

The CAS register number of Quinoline,6-(iodomethyl)- is 99361-10-1. The systematic name about this chemical is 6-(iodomethyl)quinoline. The molecular formula about this chemical is C10H8IN and the molecular weight is 269.08.

Physical properties about Quinoline,6-(iodomethyl)- are: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 2.96; (3)ACD/LogD (pH 7.4): 3.02; (4)ACD/BCF (pH 5.5): 100.9; (5)ACD/BCF (pH 7.4): 115.99; (6)ACD/KOC (pH 5.5): 909; (7)ACD/KOC (pH 7.4): 1044.9; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.89 Å2; (11)Index of Refraction: 1.721; (12)Molar Refractivity: 60.07 cm3; (13)Molar Volume: 151.9 cm3; (14)Polarizability: 23.81x10-24cm3; (15)Surface Tension: 56.2 dyne/cm; (16)Density: 1.771 g/cm3; (17)Flash Point: 162 °C; (18)Enthalpy of Vaporization: 56.49 kJ/mol; (19)Boiling Point: 344.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000133 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICc1ccc2ncccc2c1
(2)InChI: InChI=1/C10H8IN/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H,7H2
(3)InChIKey: WQQMYKMZGVNMIC-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H8IN/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H,7H2
(5)Std. InChIKey: WQQMYKMZGVNMIC-UHFFFAOYSA-N