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CAS No.: | 344324-66-9 |
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Name: | 1-Methoxy-3,5-diiodobenzene |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H6I2O |
Molecular Weight: | 359.933 |
Synonyms: | 1-METHOXY-3,5-DIIODOBENZENE;3,5-DIIODOANISOLE |
Density: | 2.284 g/cm3 |
Boiling Point: | 345.3 °C at 760 mmHg |
Flash Point: | 162.6 °C |
PSA: | 9.23000 |
LogP: | 2.90440 |
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The CAS registry number of 1-Methoxy-3,5-diiodobenzene is 344324-66-9. This chemical's molecular formula is C7H6I2O and molecular weight is 359.9309. What's more, its systematic name is called 1,3-Diiodo-5-methoxybenzene.
Physical properties about 1-Methoxy-3,5-diiodobenzene are: (1)ACD/LogP: 3.30; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 190.67; (6)ACD/BCF (pH 7.4): 190.67; (7)ACD/KOC (pH 5.5): 1492.21; (8)ACD/KOC (pH 7.4): 1492.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.668; (13)Molar Refractivity: 58.74 cm3; (14)Molar Volume: 157.5 cm3; (15)Polarizability: 23.28×10-24 cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 2.284 g/cm3; (18)Flash Point: 162.6 °C; (19)Enthalpy of Vaporization: 56.6 kJ/mol; (20)Boiling Point: 345.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000124 mmHg at 25 °C .
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(I)cc(OC)c1
(2) InChI: InChI=1/C7H6I2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
(3) InChIKey: XHRFDEOAZQGXMM-UHFFFAOYAE