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Name |
3-Fluoroindole |
EINECS | N/A |
CAS No. | 66946-81-4 | Density | 1.274 g/cm3 |
PSA | 15.79000 | LogP | 2.30700 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6FN | Boiling Point | 258.047 °C at 760 mmHg |
Molecular Weight | 135.14 | Flash Point | 109.863 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-FLUOROINDOLE;3-Fluoro-1H-indole |
Article Data | 7 |
The 3-Fluoroindole, with the CAS registry number 66946-81-4, is also known as 1H-indole, 3-fluoro-. This chemical's molecular formula is C8H6FN and molecular weight is 135.14. What's more, its systematic name is 3-fluoro-1H-indole.
Physical properties of 3-Fluoroindole are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 27; (6)ACD/BCF (pH 7.4): 27; (7)ACD/KOC (pH 5.5): 372; (8)ACD/KOC (pH 7.4): 372; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 38.522 cm3; (15)Molar Volume: 106.081 cm3; (16)Polarizability: 15.271×10-24 cm3; (17)Surface Tension: 47.055 dyne/cm; (18)Density: 1.274 g/cm3; (19)Flash Point: 109.863 °C; (20)Enthalpy of Vaporization: 47.562 kJ/mol; (21)Boiling Point: 258.047 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Fc2cnc1ccccc12
(2)InChI: InChI=1/C8H6FN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
(3)InChIKey: VMITYLJHUKSVIC-UHFFFAOYAN