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6-Fluoro-1H-indole-3-carboxylic acid

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Name

6-Fluoro-1H-indole-3-carboxylic acid

EINECS N/A
CAS No. 23077-44-3 Density 1.51 g/cm3
PSA 53.09000 LogP 2.00520
Solubility N/A Melting Point 242-244 °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 23077-44-3 (6-Fluoro-1H-indole-3-carboxylic acid) Hazard Symbols N/A
Synonyms

1H-Indole-3-carboxylic acid, 6-fluoro-;

Article Data 2

6-Fluoro-1H-indole-3-carboxylic acid Specification

The CAS registry number of 6-Fluoro-1H-indole-3-carboxylic acid is 23077-44-3. It belongs to the product category of Pharmacetical. This chemical is also named as 1H-Indole-3-carboxylic acid, 6-fluoro-. In addition, its molecular formula is C9H6FNO2 and molecular weight is 179.15. Its systematic name is called 6-fluoro-1H-indole-3-carboxylic acid.

Physical properties about 6-Fluoro-1H-indole-3-carboxylic acid are: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Index of Refraction: 1.692; (7)Molar Refractivity: 45.45 cm3; (8)Molar Volume: 118.6 cm3; (9)Surface Tension: 67.4 dyne/cm; (10)Density: 1.51 g/cm3; (11)Flash Point: 209.1 °C; (12)Enthalpy of Vaporization: 71.3 kJ/mol; (13)Boiling Point: 422.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c2cnc1cc(F)ccc12
(2)InChI: InChI=1/C9H6FNO2/c10-5-1-2-6-7(9(12)13)4-11-8(6)3-5/h1-4,11H,(H,12,13)
(3)InChIKey: ITDFSNLFIZWJDB-UHFFFAOYAT

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