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| CAS No.: | 150334-33-1 |
|---|---|
| Name: | 9H-Fluorene, 9,9-dibutyl-2-iodo- |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C21H25I |
| Molecular Weight: | 404.334 |
| Synonyms: | 9,9-Dibutyl-2-iodo-9H-fluorene; |
| Density: | 1.304 g/cm3 |
| Boiling Point: | 454.1 °C at 760 mmHg |
| Flash Point: | 205.6 °C |
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Specification
The 9H-Fluorene, 9,9-dibutyl-2-iodo- has the CAS registry number 150334-33-1. This chemical's molecular formula is C21H25I and molecular weight is 404.33. What's more, its systematic name is 9,9-dibutyl-2-iodo-9H-fluorene.
Physical properties of 9H-Fluorene, 9,9-dibutyl-2-iodo- are: (1)ACD/LogP: 9.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.42; (4)ACD/LogD (pH 7.4): 9.42; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3158505.75; (8)ACD/KOC (pH 7.4): 3158505.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 103.79 cm3; (14)Molar Volume: 310 cm3; (15)Polarizability: 41.14×10-24cm3; (16)Surface Tension: 43 dyne/cm; (17)Density: 1.304 g/cm3; (18)Flash Point: 205.6 °C; (19)Enthalpy of Vaporization: 68.62 kJ/mol; (20)Boiling Point: 454.1 °C at 760 mmHg; (21)Vapour Pressure: 5.29E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc3c1ccccc1C(CCCC)(CCCC)c3c2
(2)Std. InChI: InChI=1S/C21H25I/c1-3-5-13-21(14-6-4-2)19-10-8-7-9-17(19)18-12-11-16(22)15-20(18)21/h7-12,15H,3-6,13-14H2,1-2H3
(3)Std. InChIKey: HMNQRAGWVILCLY-UHFFFAOYSA-N