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| CAS No.: | 144292-42-2 |
|---|---|
| Name: | 1-Ethoxy-2,3-difluoro-4-iodobenzene |
| Molecular Structure: | |
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| Formula: | C8H7F2IO |
| Molecular Weight: | 284.04 |
| Synonyms: | 1-Ethoxy-2,3-bis(fluoranyl)-4-iodanyl-benzene; |
| Density: | 1.77 g/cm3 |
| Boiling Point: | 246.7 °C at 760 mmHg |
| Flash Point: | 103 °C |
| PSA: | 9.23000 |
| LogP: | 2.96810 |
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Specification
The 1-Ethoxy-2,3-difluoro-4-iodobenzene, with the CAS registry number 144292-42-2, is also known as 1-Ethoxy-2,3-bis(fluoranyl)-4-iodanyl-benzene. This chemical's molecular formula is C8H7F2IO and molecular weight is 284.04. What's more, its IUPAC name is the same with its product name.
Physical properties about 1-Ethoxy-2,3-difluoro-4-iodobenzene are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 500.39; (6)ACD/BCF (pH 7.4): 500.39; (7)ACD/KOC (pH 5.5): 2976.93; (8)ACD/KOC (pH 7.4): 2976.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 50.45 cm3; (15)Molar Volume: 160.4 cm3; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 1.77 g/cm3; (18)Flash Point: 103 °C; (19)Enthalpy of Vaporization: 46.42 kJ/mol; (20)Boiling Point: 246.7 °C at 760 mmHg; (21)Vapour Pressure: 0.042 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOc1ccc(I)c(F)c1F
(2) InChI: InChI=1S/C8H7F2IO/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4H,2H2,1H3
(3) InChIKey: WZQBGHWYRCIGDB-UHFFFAOYSA-N