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CAS No.: | 319906-42-8 |
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Name: | 9H-Fluorene, 9,9-dihexyl-2-iodo- |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C25H33I |
Molecular Weight: | 460.442 |
Synonyms: | 2-Iodo-9,9-dihexyl-9H-fluorene;9,9-Dihexyl-2-iodo-9H-fluorene; |
Density: | 1.224 g/cm3 |
Boiling Point: | 503 °C at 760 mmHg |
Flash Point: | 226.5 °C |
PSA: | 0.00000 |
LogP: | 8.49850 |
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The 9H-Fluorene, 9,9-dihexyl-2-iodo-, with the CAS registry number 319906-42-8, is also known as 2-Iodo-9,9-dihexyl-9H-fluorene. This chemical's molecular formula is C25H33I and molecular weight is 460.43. What's more, its systematic name is 9,9-dihexyl-2-iodo-9H-fluorene.
Physical properties of 9H-Fluorene, 9,9-dihexyl-2-iodo- are: (1)ACD/LogP: 11.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.54; (4)ACD/LogD (pH 7.4): 11.54; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 122.32 cm3; (14)Molar Volume: 376 cm3; (15)Polarizability: 48.49×10-24cm3; (16)Surface Tension: 41.3 dyne/cm; (17)Density: 1.224 g/cm3; (18)Flash Point: 226.5 °C; (19)Enthalpy of Vaporization: 74.29 kJ/mol; (20)Boiling Point: 503 °C at 760 mmHg; (21)Vapour Pressure: 9.44E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc3c1ccccc1C(CCCCCC)(CCCCCC)c3c2
(2)Std. InChI: InChI=1S/C25H33I/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25/h9-10,13-16,19H,3-8,11-12,17-18H2,1-2H3
(3)Std. InChIKey: YHIVQPGMVCPHHD-UHFFFAOYSA-N