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Name |
2-Chloro-3-iodoquinoline |
EINECS | N/A |
CAS No. | 128676-85-7 | Density | 1.92 g/cm3 |
PSA | 12.89000 | LogP | 3.49280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H5ClIN | Boiling Point | 351.582 °C at 760 mmHg |
Molecular Weight | 289.503 | Flash Point | 166.431 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-CHLORO-3-IODOQUINOLINE |
Article Data | 10 |
The 2-Chloro-3-iodoquinoline, with CAS registry number 128676-85-7, has the systematic name of 2-chloro-3-iodoquinoline. Besides this, it is also called quinoline, 2-chloro-3-iodo-. Its molecular weight is 289.50017. And the chemical formula of this chemical is C9H5ClIN.
Physical properties of 2-Chloro-3-iodoquinoline: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 647; (6)ACD/BCF (pH 7.4): 647; (7)ACD/KOC (pH 5.5): 3579; (8)ACD/KOC (pH 7.4): 3579; (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: 1.727; (14)Molar Refractivity: 59.988 cm3; (15)Molar Volume: 150.797 cm3; (16)Polarizability: 23.781×10-24cm3; (17)Surface Tension: 58.326 dyne/cm; (18)Density: 1.92 g/cm3; (19)Flash Point: 166.431 °C; (20)Enthalpy of Vaporization: 57.277 kJ/mol; (21)Boiling Point: 351.582 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc2ccccc2nc1Cl
(2)InChI: InChI=1/C9H5ClIN/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-5H
(3)InChIKey: VAKSSUOSONRGPR-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H5ClIN/c10-9-7(11)5-6-3-1-2-4-8(6)12-9/h1-5H
(5)Std. InChIKey: VAKSSUOSONRGPR-UHFFFAOYSA-N