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CAS No.: | 603306-52-1 |
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Name: | 5-FLUORO-1H-INDOLE-7-CARBALDEHYDE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H6FNO |
Molecular Weight: | 163.151 |
Synonyms: | 5-FLUORO-INDOLE-7-CARBOXALDEHYDE;5-FLUORO-1H-INDOLE-7-CARBALDEHYDE;1H-Indole-7-carboxaldehyde,5-fluoro-(9CI);5-Fluoro-1H-indole-7-carboxaldehyde;5-Fluoro-7-formyl-1H-indole |
Density: | 1.385 g/cm3 |
Boiling Point: | 338 °C at 760 mmHg |
Flash Point: | 158.2 °C |
PSA: | 32.86000 |
LogP: | 2.11950 |
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This chemical is called 1H-Indole-7-carboxaldehyde, 5-fluoro-, and its CAS registry number is 603306-52-1. With the molecular formula of C9H6FNO, its molecular weight is 163.15. Additionally, its product category is Halide.
Other characteristics of the 1H-Indole-7-carboxaldehyde, 5-fluoro- can be summarised as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.42; (6)ACD/BCF (pH 7.4): 16.42; (7)ACD/KOC (pH 5.5): 257.94; (8)ACD/KOC (pH 7.4): 257.94; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.86 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 45.27 cm3; (15)Molar Volume: 117.7 cm3; (16)Polarizability: 17.94×10-24cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.385 g/cm3; (19)Flash Point: 158.2 °C; (20)Enthalpy of Vaporization: 58.13 kJ/mol; (21)Boiling Point: 338 °C at 760 mmHg; (22)Vapour Pressure: 0.000101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc2ccnc2c(c1)C=O
2.InChI: InChI=1/C9H6FNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h1-5,11H
3.InChIKey: ACKRNKKYYJVPEP-UHFFFAOYAF