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301823-61-0

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Basic Information
CAS No.: 301823-61-0
Name: Methyl4-chloro-6-fluoroquinoline-2-carboxylate
Molecular Structure:
Molecular Structure of 301823-61-0 (Methyl4-chloro-6-fluoroquinoline-2-carboxylate)
Formula: C11H7ClFNO2
Molecular Weight: 239.6
Synonyms: methyl 4-chloro-8-fluoroquinoline-2-carboxylate
Density: 1.403 g/cm3
Boiling Point: 348.738 °C at 760 mmHg
Flash Point: 164.711 °C
PSA: 39.19000
LogP: 2.81390
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Specification

The Methyl 4-chloro-6-fluoroquinoline-2-carboxylate, with the CAS registry number 301823-61-0, is also known as 2-Quinolinecarboxylic acid, 4-chloro-6-fluoro-, methyl ester. This chemical's molecular formula is C11H7ClFNO2 and molecular weight is 239.6301832. Its systematic name is called methyl 4-chloro-6-fluoro-quinoline-2-carboxylate.

Physical properties of Methyl 4-chloro-6-fluoroquinoline-2-carboxylate: (1)ACD/LogP: 5.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.799; (4)ACD/LogD (pH 7.4): 5.799; (5)ACD/BCF (pH 5.5): 15052.412; (6)ACD/BCF (pH 7.4): 15052.445; (7)ACD/KOC (pH 5.5): 34034.359; (8)ACD/KOC (pH 7.4): 34034.434; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.605; (12)Molar Refractivity: 58.849 cm3; (13)Molar Volume: 170.826 cm3; (14)Surface Tension: 49.493 dyne/cm; (15)Density: 1.403 g/cm3; (16)Flash Point: 164.711 °C; (17)Enthalpy of Vaporization: 59.315 kJ/mol; (18)Boiling Point: 348.738 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc(c2cc(ccc2n1)F)Cl
(2)InChI: InChI=1/C11H7ClFNO2/c1-16-11(15)10-5-8(12)7-4-6(13)2-3-9(7)14-10/h2-5H,1H3
(3)InChIKey: CXAWNDWONHOZNO-UHFFFAOYAO