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| CAS No.: | 699-92-3 |
|---|---|
| Name: | 3''-Fluoro-2''-Hydroxyacetophenone |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H7FO2 |
| Molecular Weight: | 154.141 |
| Synonyms: | 1-(3-Fluoro-2-hydroxyphenyl)-ethanone;1-(3-Fluoro-2-hydroxyphenyl)ethanone;Ethanone, 1-(3-fluoro-2-hydroxyphenyl)-; |
| Density: | 1.247 g/cm3 |
| Melting Point: | 72-73 °C |
| Boiling Point: | 209.004 °C at 760 mmHg |
| Flash Point: | 80.203 °C |
| PSA: | 37.30000 |
| LogP: | 1.73390 |
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- Total:34 Page 1 of 1 1
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Specification
The 3''-Fluoro-2''-Hydroxyacetophenone, with the CAS registry number 699-92-3, has the systematic name and IUPAC name of 1-(3-fluoro-2-hydroxyphenyl)ethanone. It is a kind of organics, and the molecular formula of the chemical is C8H7FO2.
The characteristics of 3''-Fluoro-2''-Hydroxyacetophenone are as followings: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 30; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 395; (8)ACD/KOC (pH 7.4): 383; (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: 1.53; (14)Molar Refractivity: 38.156 cm3; (15)Molar Volume: 123.603 cm3; (16)Polarizability: 15.126×10-24cm3; (17)Surface Tension: 41.964 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 80.203 °C; (20)Enthalpy of Vaporization: 46.344 kJ/mol; (21)Boiling Point: 209.004 °C at 760 mmHg; (22)Vapour Pressure: 0.144 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cccc(C(=O)C)c1O
(2)InChI: InChI=1/C8H7FO2/c1-5(10)6-3-2-4-7(9)8(6)11/h2-4,11H,1H3
(3)InChIKey: WXTHZWWWCICGAN-UHFFFAOYAQ