1H-Indole-3-carboxylicacid, 5-fluoro- (23077-43-2)

The CAS register number of 5-Fluoroindole-3-carboxylic acid is 23077-43-2. It also can be called as 1H-Indole-3-carboxylicacid, 5-fluoro- and the IUPAC name about this chemical is 5-fluoro-1H-indole-3-carboxylic acid. The molecular formula about this chemical is C₉H₆FNO₂ and molecular weight is 179.15. It belongs to the following product categories, such as Pharmacetical; Indole and so on.

Physical properties about 5-Fluoroindole-3-carboxylic acid are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 0.45; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7.86; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 53.09Ų; (11)Index of Refraction: 1.692; (12)Molar Refractivity: 45.45 cm³; (13)Molar Volume: 118.6 cm³; (14)Polarizability: 18.01x10^-24cm³; (15)Surface Tension: 67.4 dyne/cm; (16)Enthalpy of Vaporization: 71.3 kJ/mol; (17)Boiling Point: 422.2 °C at 760 mmHg; (18)Vapour Pressure: 7.01E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cnc1ccc(F)cc12
(2)InChI: InChI=1/C9H6FNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
(3)InChIKey: SDZBAXLIHRBNOV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H6FNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)
(5)Std. InChIKey: SDZBAXLIHRBNOV-UHFFFAOYSA-N