Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | N/A | |
Synonyms |
1H-Indole-3-carboxylic acid, 6-fluoro-; |
Article Data | 2 |
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