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3-Quinolinecarboxylic acid, 8-fluoro-

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Name

3-Quinolinecarboxylic acid, 8-fluoro-

EINECS N/A
CAS No. 71082-53-6 Density 1.432 g/cm3
PSA 50.19000 LogP 2.07210
Solubility N/A Melting Point N/A
Formula C10H6FNO2 Boiling Point 352.148 °C at 760 mmHg
Molecular Weight 191.162 Flash Point 166.774 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 71082-53-6 (8-FLUOROQUINOLINE-3-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

8-Fluoroquinoline-3-carboxylic acid;

 

3-Quinolinecarboxylic acid, 8-fluoro- Specification

The 3-Quinolinecarboxylic acid, 8-fluoro- has the CAS registry number 71082-53-6. This chemical's molecular formula is C10H6FNO2 and molecular weight is 191.16. What's more, its systematic name is 8-Fluoroquinoline-3-carboxylic acid.

Physical properties of 3-Quinolinecarboxylic acid, 8-fluoro- are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 50.19 Å2; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 49.11 cm3; (14)Molar Volume: 133.512 cm3; (15)Polarizability: 19.469×10-24 cm3; (16)Surface Tension: 61.909 dyne/cm; (17)Density: 1.432 g/cm3; (18)Flash Point: 166.774 °C; (19)Enthalpy of Vaporization: 62.992 kJ/mol; (20)Boiling Point: 352.148 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2cccc(F)c2nc1
(2)InChI: InChI=1S/C10H6FNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5H,(H,13,14)
(3)InChIKey: QKUIXNPZATTWNU-UHFFFAOYSA-N

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