4H-1-Benzopyran-4-one,6-bromo-2,3-dihydro- (49660-57-3)

The 4H-1-Benzopyran-4-one,6-bromo-2,3-dihydro- with the cas number 49660-57-3, is also called 6-bromo-2,3-dihydrochromen-4-one named by IUPAC. There are also other names such as (1)6-Bromo-2,3-dihydro-4H-chromen-4-one ; (2)6-Brom-2,3-dihydro-4H-chromen-4-on ; (3)6-Bromo-3,4-Dihydro-2H-1-Benzopyran-4-One ; (4)6-Bromo-4-chromanone ; (5)6-Bromochroman-4-one.

Physical properties about this chemical are: (1)ACD/LogP: 3.16 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.16 ; (4)ACD/LogD (pH 7.4): 3.16 ; (5)ACD/BCF (pH 5.5): 149.25 ; (6)ACD/BCF (pH 7.4): 149.25 ; (7)ACD/KOC (pH 5.5): 1252.29 ; (8)ACD/KOC (pH 7.4): 1252.29 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 26.3 Å² ; (13)Index of Refraction: 1.599 ; (14)Molar Refractivity: 47.85 cm³ ; (15)Molar Volume: 139.9 cm³ ; (16)Polarizability: 18.97 ×10^-24cm³ ; (17)Surface Tension: 48.3 dyne/cm ; (18)Density: 1.621 g/cm³ ; (19)Flash Point: 157.4 °C ; (20)Enthalpy of Vaporization: 57.98 kJ/mol ; (21)Boiling Point: 336.6 °C at 760 mmHg ; (22)Vapour Pressure: 0.000111 mmHg at 25°C

You can still convert the following datas into molecular structure :
(1) SMILES: Brc2ccc1OCCC(=O)c1c2
(2) InChI:InChI=1/C9H7BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2