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5-Fluoroindole-3-carboxylic acid

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Name

5-Fluoroindole-3-carboxylic acid

EINECS N/A
CAS No. 23077-43-2 Density 1.51 g/cm3
PSA 53.09000 LogP 2.00520
Solubility N/A Melting Point 234-236 °C (decomp)
Formula C9H6FNO2 Boiling Point 422.2 °C at 760 mmHg
Molecular Weight 179.151 Flash Point 209.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23077-43-2 (5-FLUOROINDOLE-3-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

Indole-3-carboxylicacid, 5-fluoro- (8CI);5-Fluoroindole-3-carboxylic acid;

Article Data 11

5-Fluoroindole-3-carboxylic acid Specification

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: 53.09Å2; (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

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