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| CAS No.: | 886498-84-6 |
|---|---|
| Name: | 2',6'-DIFLUORO-4'-METHOXYACETOPHENONE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H8F2O2 |
| Molecular Weight: | 186.158 |
| Synonyms: | 2,6-DIFLUORO-4-METHOXYACETOPHENONE;1-(2,6-Difluoro-4-Methoxyphenyl)ethanone |
| Density: | 1.213 g/cm3 |
| Boiling Point: | 224.2 °C at 760 mmHg |
| Flash Point: | 87 °C |
| PSA: | 26.30000 |
| LogP: | 2.17600 |
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- Total:22 Page 1 of 1 1
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Specification
The 2',6'-Difluoro-4'-methoxyacetophenone, with the CAS registry number 886498-84-6, is also known as Ethanone, 1-(2,6-difluoro-4-methoxyphenyl)-. This chemical's molecular formula is C9H8F2O2 and formula weight is 186.16. What's more, its systematic name is called 1-(2,6-Difluoro-4-methoxyphenyl)ethanone.
Physical properties about this chemical are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.471; (8)Molar Refractivity: 42.94 cm3; (9)Molar Volume: 153.3 cm3; (10)Surface Tension: 31.4 dyne/cm; (11)Density: 1.213 g/cm3; (12)Flash Point: 87 °C; (13)Enthalpy of Vaporization: 46.07 kJ/mol; (14)Boiling Point: 224.2 °C at 760 mmHg; (15)Vapour Pressure: 0.0924 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)cc(OC)c1)C(=O)C
(2)InChI: InChI=1/C9H8F2O2/c1-5(12)9-7(10)3-6(13-2)4-8(9)11/h3-4H,1-2H3
(3)InChIKey: YZVNPIUPAKOREH-UHFFFAOYAQ