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CAS No.: | 849359-56-4 |
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Name: | 3,5-diiodo-4-methoxypyridine |
Molecular Structure: | |
Formula: | C6H5I2NO |
Molecular Weight: | 360.921 |
Synonyms: | 3,5-Diiodo-4-methoxypyridine; |
Density: | 2.393 g/cm3 |
Boiling Point: | 364.262 °C at 760 mmHg |
Flash Point: | 174.1 °C |
PSA: | 22.12000 |
LogP: | 2.29940 |
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The Pyridine, 3, 5-diiodo-4-methoxy-, with the CAS registry number 849359-56-4, is also known as TC-010018. This chemical's molecular formula is C6H5I2NO and molecular weight is 360.92. What's more, its IUPAC name is 3, 5-Diiodo-4-methoxypyridine.
Physical properties about Pyridine, 3, 5-diiodo-4-methoxy- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 309.366; (6)ACD/BCF (pH 7.4): 309.66; (7)ACD/KOC (pH 5.5): 2109.443; (8)ACD/KOC (pH 7.4): 2111.444; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 56.836 cm3; (15)Molar Volume: 150.805 cm3; (16)Polarizability: 22.532×10-24 cm3; (17)Surface Tension: 54.268 dyne/cm; (18)Density: 2.393 g/cm3; (19)Flash Point: 174.1 °C; (20)Enthalpy of Vaporization: 58.64 kJ/mol; (21)Boiling Point: 364.262 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1c(cncc1I)I
(2) InChI: InChI=1/C6H5I2NO/c1-10-6-4(7)2-9-3-5(6)8/h2-3H,1H3
(3) InChIKey: GPDULJDJQYKQJF-UHFFFAOYAZ