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2(1H)-Quinolinone,6-fluoro-4-hydroxy- (1677-37-8)

Identification
Name:2(1H)-Quinolinone,6-fluoro-4-hydroxy-
Synonyms:Carbostyril,6-fluoro-4-hydroxy- (7CI,8CI);6-Fluoro-2,4-dihydroxyquinoline;6-Fluoro-2,4-quinolinediol;
CAS:1677-37-8
Molecular Formula: C9H6FNO2
Molecular Weight: 179.15
InChI: InChI=1/C9H6FNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
Molecular Structure: (C9H6FNO2) Carbostyril,6-fluoro-4-hydroxy- (7CI,8CI);6-Fluoro-2,4-dihydroxyquinoline;6-Fluoro-2,4-quinolinediol...
Properties
Density:1.477 g/cm3
Refractive index:1.628
Specification:

The 6-Fluoro-2,4-dihydroxyquinoline, with the cas registry number 1677-37-8, has the systematic name of 6-fluoro-4-hydroxyquinolin-2(1H)-one. And the molecular formula of the chemical is C9H6FNO2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.44; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 49.33 Å2; (12)Index of Refraction: 1.628; (13)Molar Refractivity: 43.08 cm3; (14)Molar Volume: 121.2 cm3; (15)Polarizability: 17.08×10-24cm3; (16)Surface Tension: 57.6 dyne/cm; (17)Density: 1.477 g/cm3; (18)Flash Point: 197 °C; (19)Enthalpy of Vaporization: 68.88 kJ/mol; (20)Boiling Point: 402.1 °C at 760 mmHg; (21)Vapour Pressure: 3.46E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2c(cc1F)c(cc(=O)[nH]2)O
(2)InChI: InChI=1/C9H6FNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
(3)InChIKey: ZFBAAIYKVIMWHY-UHFFFAOYAS

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