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| CAS No.: | 19271-19-3 |
|---|---|
| Name: | Methyl6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C11H8FNO3 |
| Molecular Weight: | 221.188 |
| Synonyms: | 2-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-, methyl ester; |
| Density: | 1.366 g/cm3 |
| Boiling Point: | 335.5 °C at 760 mmHg |
| Flash Point: | 156.7 °C |
| PSA: | 59.16000 |
| LogP: | 1.45380 |
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Specification
The Methyl 6-fluoro-4-hydroxyquinoline-2-carboxylate, with the CAS registry number 19271-19-3, is also known as 2-Quinolinecarboxylic acid, 6-fluoro-1, 4-dihydro-4-oxo-, methyl ester. This chemical's molecular formula is C11H8FNO3 and molecular weight is 221.1845. What's more, its systematic name is Methyl 6-fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylate.
Physical properties about Methyl 6-fluoro-4-hydroxyquinoline-2-carboxylate are: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.49; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 45.84; (6)ACD/BCF (pH 7.4): 45.84; (7)ACD/KOC (pH 5.5): 537.94; (8)ACD/KOC (pH 7.4): 537.95; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 52.44 cm3; (15)Molar Volume: 161.9 cm3; (16)Polarizability: 20.79×10-24 cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.366 g/cm3; (19)Flash Point: 156.7 °C; (20)Enthalpy of Vaporization: 57.85 kJ/mol; (21)Boiling Point: 335.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000119 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc1c(C(=O)\C=C(\C(=O)OC)N1)c2
(2) InChI: InChI=1/C11H8FNO3/c1-16-11(15)9-5-10(14)7-4-6(12)2-3-8(7)13-9/h2-5H,1H3,(H,13,14)
(3) InChIKey: BESDSRIEDPEFRN-UHFFFAOYAV