2'-Fluoro-6'-methoxyacetophenone

The Ethanone,1-(2-fluoro-6-methoxyphenyl)-, with its CAS registry number 120484-50-6, has the systematic name of 1-(2-fluoro-6-methoxyphenyl)ethanone. With its molecular foumula of C₉H₉FO₂, it has the formula weight of 168.16. Besides, its product categories are including Aromatic Acetophenones & Derivatives (substituted). When you are using this chemical, you should be careful. It may cause inflammation to the skin or other mucous membranes. Besides, when you store it, put it in the cool and well-ventilated place, away from the oxide, such as acid. In addition, this chemical will not decompose if follow the using and storage specifications.

The characteristics of Ethanone,1-(2-fluoro-6-methoxyphenyl)- are as follows: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.56; (4)ACD/LogD (pH 7.4): 1.56; (5)ACD/BCF (pH 5.5): 9.03; (6)ACD/BCF (pH 7.4): 9.03; (7)ACD/KOC (pH 5.5): 168.13; (8)ACD/KOC (pH 7.4): 168.13; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Ų; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 42.95 cm³; (15)Molar Volume: 149.1 cm³; (16)Polarizability: 17.02×10^-24cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.127 g/cm³; (19)Flash Point: 82.7 °C; (20)Enthalpy of Vaporization: 45.32 kJ/mol; (21)Boiling Point: 216.8 °C at 760 mmHg; (22)Vapour Pressure: 0.137 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Fc1cccc(OC)c1C(=O)C
(2)InChI:InChI=1/C9H9FO2/c1-6(11)9-7(10)4-3-5-8(9)12-2/h3-5H,1-2H3
(3)InChIKey:POHCKHGBDOTACV-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C16H16F2N2O4S/c1-20(2)25(22,23)13-5-3-4-11(8-13)19-16(21)10-24-12-6-7-14(17)15(18)9-12/h3-9H,10H2,1-2H3,(H,19,21)
(5)Std. InChIKey:ICISTCRVUABFBE-UHFFFAOYSA-N