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| CAS No.: | 145300-04-5 |
|---|---|
| Name: | 2'-Fluoro-5'-Hydroxyacetophenone |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H7FO2 |
| Molecular Weight: | 154.141 |
| Synonyms: | 1-(2-Fluoro-5-hydroxyphenyl)ethanone; |
| Density: | 1.247 g/cm3 |
| Melting Point: | 97°C |
| Boiling Point: | 290.7 °C at 760 mmHg |
| Flash Point: | 129.6 °C |
| PSA: | 37.30000 |
| LogP: | 1.73390 |
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Specification
The Ethanone,1-(2-fluoro-5-hydroxyphenyl)-, with the CAS registry number 145300-04-5, is also known as 2'-Fluoro-5'-hydroxyacetophenone. It belongs to the product categories of Halide; Acetylgroup. This chemical's molecular formula is C8H7FO2 and molecular weight is 154.1383832. What's more, its IUPAC name and systematic name are the same which is called 1-(2-Fluoro-5-hydroxyphenyl)ethanone.
Physical properties about Ethanone,1-(2-fluoro-5-hydroxyphenyl)-: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.3; (6)ACD/BCF (pH 7.4): 5.21; (7)ACD/KOC (pH 5.5): 114.87; (8)ACD/KOC (pH 7.4): 112.91; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 38.15 cm3; (15)Molar Volume: 123.6 cm3; (16)Surface Tension: 41.9 dyne/cm; (17)Density: 1.247 g/cm3; (18)Flash Point: 129.6 °C; (19)Enthalpy of Vaporization: 55.13 kJ/mol; (20)Boiling Point: 290.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00117 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(O)cc1C(C)=O
(2) InChI: InChI=1/C8H7FO2/c1-5(10)7-4-6(11)2-3-8(7)9/h2-4,11H,1H3
(3) InChIKey: IYTWDJSAUFFBRM-UHFFFAOYAO