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23077-44-3

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Basic Information
CAS No.: 23077-44-3
Name: 6-Fluoro-1H-indole-3-carboxylic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 23077-44-3 (6-Fluoro-1H-indole-3-carboxylic acid)
Formula: C9H6FNO2
Molecular Weight: 179.151
Synonyms: 1H-Indole-3-carboxylic acid, 6-fluoro-;
Density: 1.51 g/cm3
Melting Point: 242-244 °C (decomp)
Boiling Point: 422.2 °C at 760 mmHg
Flash Point: 209.1 °C
PSA: 53.09000
LogP: 2.00520
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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