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893620-30-9

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Basic Information
CAS No.: 893620-30-9
Name: 2-CHLORO-4-FLUOROQUINOLINE
Molecular Structure:
Molecular Structure of 893620-30-9 (2-CHLORO-4-FLUOROQUINOLINE)
Formula: C9H5ClFN
Molecular Weight: 181.59
Synonyms: AURORA KA-8131;2-CHLORO-4-FLUOROQUINOLINE
Density: 1.366 g/cm3
Boiling Point: 265 °C at 760 mmHg
Flash Point: 114.1 °C
PSA: 12.89000
LogP: 3.02730
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Specification

The Quinoline,2-chloro-4-fluoro- is an organic compound with the formula C9H5ClFN. With the CAS registry number 893620-30-9, the systematic name of this chemical is 2-chloro-4-fluoroquinoline.

Physical properties about Quinoline,2-chloro-4-fluoro- are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 34.17; (5)ACD/BCF (pH 7.4): 34.17; (6)ACD/KOC (pH 5.5): 435.87; (7)ACD/KOC (pH 7.4): 435.87; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89 Å2; (10)Index of Refraction: 1.626; (11)Molar Refractivity: 47.07 cm3; (12)Molar Volume: 132.9 cm3; (13)Polarizability: 18.66×10-24cm3; (14)Surface Tension: 47 dyne/cm; (15)Density: 1.366 g/cm3; (16)Flash Point: 114.1 °C; (17)Enthalpy of Vaporization: 48.26 kJ/mol; (18)Boiling Point: 265 °C at 760 mmHg; (19)Vapour Pressure: 0.0154 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c2ccccc2nc(Cl)c1
(2)InChI: InChI=1/C9H5ClFN/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H
(3)InChIKey: VYPCSBKUBWRMSM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H5ClFN/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H
(5)Std. InChIKey: VYPCSBKUBWRMSM-UHFFFAOYSA-N