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CAS No.: | 144981-85-1 |
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Name: | 9,9-Dimethyl-2-iodofluorene |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C15H13I |
Molecular Weight: | 320.173 |
Synonyms: | 2-Iodo-9,9-dimethylfluorene;9,9-Dimethyl-2-iodofluorene;2-Iodo-9,9-dimethyl-9H-fluorene; |
EINECS: | 1312995-182-4 |
Density: | 1.533 g/cm3 |
Melting Point: | 63-65°C |
Boiling Point: | 376.5 °C at 760 mmHg |
Flash Point: | 171 °C |
PSA: | 0.00000 |
LogP: | 4.59750 |
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The 2-Iodo-9,9-dimethylfluorene, with CAS registry number 144981-85-1, has the systematic name of 2-iodo-9,9-dimethyl-9H-fluorene. Besides this, it is also called 9,9-Dimethyl-2-iodofluorene. Its molecular weight is 320.17. And the chemical formula of this chemical is C15H13I.
Physical properties of 2-Iodo-9,9-dimethylfluorene: (1)ACD/LogP: 6.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.23; (4)ACD/LogD (pH 7.4): 6.23; (5)ACD/BCF (pH 5.5): 31875.15; (6)ACD/BCF (pH 7.4): 31875.15; (7)ACD/KOC (pH 5.5): 58231.14; (8)ACD/KOC (pH 7.4): 58231.14; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 76.02 cm3; (15)Molar Volume: 208.8 cm3; (16)Polarizability: 30.13×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.533 g/cm3; (19)Flash Point: 171 °C; (20)Enthalpy of Vaporization: 59.97 kJ/mol; (21)Boiling Point: 376.5 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc3c1ccccc1C(C)(C)c3c2
(2)InChI: InChI=1/C15H13I/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-9H,1-2H3
(3)InChIKey: DVLSJPCXPNKPRJ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C15H13I/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-9H,1-2H3
(5)Std. InChIKey: DVLSJPCXPNKPRJ-UHFFFAOYSA-N