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CAS No.: | 55164-86-8 |
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Name: | 4,5,6,7-tetrafluoroisoindoline |
Molecular Structure: | |
Formula: | C8H5F4N |
Molecular Weight: | 191.13 |
Synonyms: |
4,5,6,7-Tetrafluor-isoindolin;Spiro[1,3-benzodioxole-2,9'-[9H]fluorene],4,5,6,7-tetrachloro;4,5,6,7-tetrafluoro-1,3-dihydro-isoindole;9,9- |
Density: | 1.454 g/cm3 |
Boiling Point: | 185.8 °C at 760 mmHg |
Flash Point: | 66.2 °C |
PSA: | 12.03000 |
LogP: | 2.17500 |
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The CAS registry number of 4,5,6,7-Tetrafluoro-2,3-dihydro-1H-isoindole is 55164-86-8. This chemical's molecular formula is C8H5F4N and molecular weight is 191.13. What's more, its IUPAC name and systematic name are the same which is called 4,5,6,7-Tetrafluoro-2,3-dihydro-1H-isoindole.
Physical properties about 4,5,6,7-Tetrafluoro-2,3-dihydro-1H-Isoindole: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.21; (6)ACD/BCF (pH 7.4): 3.93; (7)ACD/KOC (pH 5.5): 75.67; (8)ACD/KOC (pH 7.4): 92.56; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 37.13 cm3; (15)Molar Volume: 131.3 cm3; (16)Surface Tension: 32.9 dyne/cm; (17)Density: 1.454 g/cm3; (18)Flash Point: 66.2 °C; (19)Enthalpy of Vaporization: 42.21 kJ/mol; (20)Boiling Point: 185.8 °C at 760 mmHg; (21)Vapour Pressure: 0.683 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2c1CNCc1c(F)c(F)c2F
(2) InChI: InChI=1/C8H5F4N/c9-5-3-1-13-2-4(3)6(10)8(12)7(5)11/h13H,1-2H2
(3) InChIKey: KYTBTBDYUZVBJP-UHFFFAOYAN