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| CAS No.: | 607-40-9 |
|---|---|
| Name: | 6-FLUORO-2-HYDROXYQUINOLINE-4-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C10H6FNO3 |
| Molecular Weight: | 207.161 |
| Synonyms: | 6-Fluoro-2-hydroxyquinoline-4-carboxylic acid; |
| Density: | 1.57 g/cm3 |
| Boiling Point: | 475.882 °C at 760 mmHg |
| Flash Point: | 241.605 °C |
| PSA: | 70.42000 |
| LogP: | 1.77770 |
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Specification
The 4-Quinolinecarboxylic acid, 6-fluoro-1,2-dihydro-2-oxo-, with the CAS registry number 607-40-9, is also known as 6-Fluoro-2-hydroxyquinoline-4-carboxylic acid. This chemical's molecular formula is C10H6FNO3 and molecular weight is 207.16. What's more, both its IUPAC name and systematic name are the same which is called 6-Fluoro-2-oxo-1H-quinoline-4-carboxylic acid.
Physical properties about 4-Quinolinecarboxylic acid, 6-fluoro-1,2-dihydro-2-oxo- are: (1)ACD/LogP: 3.526; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 4.15; (8)ACD/KOC (pH 7.4): 1.41; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.42 Å2; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 50.992 cm3; (15)Molar Volume: 131.942 cm3; (16)Polarizability: 20.215×10-24cm3; (17)Surface Tension: 75.959 dyne/cm; (18)Density: 1.57 g/cm3; (19)Flash Point: 241.605 °C; (20)Enthalpy of Vaporization: 77.9 kJ/mol; (21)Boiling Point: 475.882 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc(O)nc2ccc(F)cc12
(2) InChI: InChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)7(10(14)15)4-9(13)12-8/h1-4H,(H,12,13)(H,14,15)
(3) InChIKey: LJWTUAHUOKMKCZ-UHFFFAOYSA-N