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CAS No.: | 188534-09-0 |
---|---|
Name: | 4-FLUORO-3'-IODODIPHENYL ETHER |
Molecular Structure: | |
Formula: | C12H8FIO |
Molecular Weight: | 314.098 |
Synonyms: | 3-(4-Fluorophenoxy)iodobenzene; |
Density: | 1.686 g/cm3 |
Melting Point: | 52-54 °C |
Boiling Point: | 324.551 °C at 760 mmHg |
Flash Point: | 150.084 °C |
Hazard Symbols: | Xi |
PSA: | 9.23000 |
LogP: | 4.22260 |
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The Benzene,1-(4-fluorophenoxy)-3-iodo-, with CAS registry number 188534-09-0, has the systematic name of 1-(4-fluorophenoxy)-3-iodobenzene. Besides this, it is also called 4-Fluorophenyl 3-iodophenyl ether. And the chemical formula of this chemical is C12H8FIO.
Physical properties of Benzene,1-(4-fluorophenoxy)-3-iodo-: (1)ACD/LogP: 5.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.66; (4)ACD/LogD (pH 7.4): 5.66; (5)ACD/BCF (pH 5.5): 11842.55; (6)ACD/BCF (pH 7.4): 11842.55; (7)ACD/KOC (pH 5.5): 28665.58; (8)ACD/KOC (pH 7.4): 28665.58; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 65.59 cm3; (15)Molar Volume: 186.3 cm3; (16)Polarizability: 26×10-24cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Enthalpy of Vaporization: 54.41 kJ/mol; (19)Vapour Pressure: 0.000462 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(Oc1cccc(I)c1)cc2
(2)InChI: InChI=1/C12H8FIO/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
(3)InChIKey: JMULVRBKALQNIW-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H8FIO/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
(5)Std. InChIKey: JMULVRBKALQNIW-UHFFFAOYSA-N