6-BROMOFLAVONE

The 4H-1-Benzopyran-4-one, 6-bromo-2-phenyl-, with the CAS registry number of 1218-80-0, is also known as 6-Bromoflavone. Its molecular formula is C₁₅H₉BrO₂ and molecular weight is 301.13. What's more, its systematic name is 6-Bromo-2-phenyl-4H-chromen-4-one. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 4H-1-Benzopyran-4-one, 6-bromo-2-phenyl- are: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 1145.8; (6)ACD/BCF (pH 7.4): 1145.8; (7)ACD/KOC (pH 5.5): 5386.53; (8)ACD/KOC (pH 7.4): 5386.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 71.89 cm³; (15)Molar Volume: 195.4 cm³; (16)Surface Tension: 52.7 dyne/cm; (17)Density: 1.54 g/cm³; (18)Flash Point: 208.5 °C; (19)Enthalpy of Vaporization: 67.51 kJ/mol; (20)Boiling Point: 421.1 °C at 760 mmHg; (21)Vapour Pressure: 2.67E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc2O/C(=C\C(=O)c2c1)c3ccccc3
(2) InChI: InChI=1/C15H9BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
(3) InChIKey: LPOZDKMXSPAATL-UHFFFAOYAR