The 4H-3,1-Benzoxazin-4-one,6-fluoro-2-methyl-, with the CAS registry number of 38520-78-4, is also known as 6-Fluor-2-methyl-4h-3,1-benzoxazin-4-on. Its molecular formula is C9H6FNO2 and molecular weight is 179.149. What's more, its systematic name is 6-Fluoro-2-methyl-4H-3,1-benzoxazin-4-one.
Physical properties about the 4H-3,1-Benzoxazin-4-one,6-fluoro-2-methyl- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 38.66 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 43.9 cm3; (9)Molar Volume: 130.9 cm3; (10)Surface Tension: 40.1 dyne/cm; (11)Density: 1.36 g/cm3; (12)Flash Point: 133.4 °C; (13)Enthalpy of Vaporization: 53.68 kJ/mol; (14)Boiling Point: 297 °C at 760 mmHg; (15)Vapour Pressure: 0.00139 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc2/N=C(\OC(=O)c2c1)C
(2) InChI: InChI=1/C9H6FNO2/c1-5-11-8-3-2-6(10)4-7(8)9(12)13-5/h2-4H,1H3
(3) InChIKey: REAWYHMDDZZSSJ-UHFFFAOYAI
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