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| CAS No.: | 526-47-6 |
|---|---|
| Name: | 2,3-DIMETHYL-5-FLUOROINDOLE |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C10H10FN |
| Molecular Weight: | 163.195 |
| Synonyms: | Indole,5-fluoro-2,3-dimethyl- (6CI,7CI,8CI);5-Fluoro-2,3-dimethylindole; |
| Density: | 1.177 g/cm3 |
| Melting Point: | 60-61 °C |
| Boiling Point: | 287.3 °C at 760 mmHg |
| Flash Point: | 127.6 °C |
| PSA: | 15.79000 |
| LogP: | 2.92380 |
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- Total:26 Page 1 of 1 1
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Specification
The cas register number of 2,3-Dimethyl-5-fluoroindole is 526-47-6. It also can be called as 1H-indole, 5-fluoro-2,3-dimethyl- and the Systematic name about this chemical is 5-fluoro-2,3-dimethyl-1H-indole.
Physical properties about 2,3-Dimethyl-5-fluoroindole are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 4.93Å2; (7)Index of Refraction: 1.611; (8)Molar Refractivity: 48.17 cm3; (9)Molar Volume: 138.6 cm3; (10)Surface Tension: 42 dyne/cm; (11)Density: 1.177 g/cm3; (12)Flash Point: 127.6 °C; (13)Enthalpy of Vaporization: 50.53 kJ/mol; (14)Boiling Point: 287.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00433 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: Fc1cc2c(cc1)nc(c2C)C
2.InChI: InChI=1/C10H10FN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
3.InChIKey: PMOQBVDDGHQQEM-UHFFFAOYAP
4.Std. InChI: InChI=1S/C10H10FN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3