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71082-53-6

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Basic Information
CAS No.: 71082-53-6
Name: 8-FLUOROQUINOLINE-3-CARBOXYLIC ACID
Molecular Structure:
Molecular Structure of 71082-53-6 (8-FLUOROQUINOLINE-3-CARBOXYLIC ACID)
Formula: C10H6FNO2
Molecular Weight: 191.162
Synonyms: 8-Fluoroquinoline-3-carboxylic acid;
Density: 1.432 g/cm3
Boiling Point: 352.148 °C at 760 mmHg
Flash Point: 166.774 °C
PSA: 50.19000
LogP: 2.07210
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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