6-BROMO-3-BUTYRYL-2H-CHROMEN-2-ONE

The 2H-1-Benzopyran-2-one,6-bromo-3-(1-oxobutyl)-, with the CAS registry number of 2199-83-9, is also known as 6-Bromo-3-butyryl-2H-chromen-2-one. This chemical's molecular formula is C₁₃H₁₁BrO₃ and molecular weight is 295.13. What's more, its IUPAC name is 6-Bromo-3-butanoylchromen-2-one. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, it should be avoided contact with oxidant.

Physical properties about the 2H-1-Benzopyran-2-one,6-bromo-3-(1-oxobutyl)- are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 272.07; (6)ACD/BCF (pH 7.4): 272.07; (7)ACD/KOC (pH 5.5): 1924.62; (8)ACD/KOC (pH 7.4): 1924.62; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 65.92 cm³; (15)Molar Volume: 195.5 cm³; (16)Surface Tension: 49.4 dyne/cm; (17)Density: 1.509 g/cm³; (18)Flash Point: 227.5 °C; (19)Enthalpy of Vaporization: 71.18 kJ/mol; (20)Boiling Point: 452.5 °C at 760 mmHg; (21)Vapour Pressure: 2.22E-08 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc1OC(=O)/C(=C\c1c2)C(=O)CCC
(2) InChI: InChI=1/C13H11BrO3/c1-2-3-11(15)10-7-8-6-9(14)4-5-12(8)17-13(10)16/h4-7H,2-3H2,1H3
(3) InChIKey: RDBKKAPCFCJFND-UHFFFAOYAU