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CAS No.: | 883500-66-1 |
---|---|
Name: | 4-BROMO-7-FLUOROINDOLE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C8H5BrFN |
Molecular Weight: | 214.037 |
Synonyms: | 1H-indole, 4-bromo-7-fluoro-; 4-Bromo-7-fluoro-1H-indole; 4-Bromo-7-fluoroindole |
Density: | 1.75 g/cm3 |
Melting Point: | 24-25℃ |
Boiling Point: | 314.2 °C at 760 mmHg |
Flash Point: | 143.8 °C |
Hazard Symbols: | Xi |
PSA: | 15.79000 |
LogP: | 3.06950 |
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The 1H-Indole, 4-bromo-7-fluoro-, with CAS registry number 883500-66-1, has the systematic name of 4-bromo-7-fluoro-1H-indole. Besides this, it is also called 4-Bromo-7-fluoroindole. And the chemical formula of this chemical is C8H5BrFN.
Physical properties of 1H-Indole, 4-bromo-7-fluoro-: (1)ACD/LogP: 2.90; (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: 4.93 Å2; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 46.21 cm3; (9)Molar Volume: 122.2 cm3; (10)Polarizability: 18.32×10-24cm3; (11)Surface Tension: 52 dyne/cm; (12)Density: 1.75 g/cm3; (13)Flash Point: 143.8 °C; (14)Enthalpy of Vaporization: 53.32 kJ/mol; (15)Boiling Point: 314.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000874 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c2c(c(Br)cc1)ccn2
(2)InChI: InChI=1/C8H5BrFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
(3)InChIKey: PBQKMEMSAFAVKF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H5BrFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
(5)Std. InChIKey: PBQKMEMSAFAVKF-UHFFFAOYSA-N