6-Acetyl-8-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one (943994-30-7)

The 6-Acetyl-8-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one with the cas number 943994-30-7 is also called 2H-1,4-benzoxazin-3(4H)-one, 6-acetyl-8-fluoro-. The systematic name is 6-acetyl-8-fluoro-4H-1,4-benzoxazin-3-one. Its molecular formula is C₁₀H₈FNO₃. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.698; (4)ACD/LogD (pH 7.4): 1.698; (5)ACD/BCF (pH 5.5): 11.5; (6)ACD/BCF (pH 7.4): 11.498; (7)ACD/KOC (pH 5.5): 199.921; (8)ACD/KOC (pH 7.4): 199.893; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 48.921 cm³; (15)Molar Volume: 155.577 cm³; (16)Polarizability: 19.394×10^-24cm³; (17)Surface Tension: 42.437 dyne/cm; (18)Enthalpy of Vaporization: 67.305 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1cc2c(c(c1)F)OCC(=O)N2
(2)InChI: InChI=1/C10H8FNO3/c1-5(13)6-2-7(11)10-8(3-6)12-9(14)4-15-10/h2-3H,4H2,1H3,(H,12,14)
(3)InChIKey: FZKDZTNKRZSMFV-UHFFFAOYAV