(7-BROMO-2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)(4-NITROPHENYL)METHANONE

The Methanone,(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-nitrophenyl)-, with CAS registry number 175136-46-6, has the systematic name of (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-nitrophenyl)methanone. And the chemical formula of this chemical is C₁₅H₁₀BrNO₅.

Physical properties of Methanone,(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-nitrophenyl)-: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 482.23; (6)ACD/BCF (pH 7.4): 482.23; (7)ACD/KOC (pH 5.5): 2899.17; (8)ACD/KOC (pH 7.4): 2899.17; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.35 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 81.05 cm³; (15)Molar Volume: 224.4 cm³; (16)Polarizability: 32.13×10^-24cm³; (17)Surface Tension: 61.3 dyne/cm; (18)Density: 1.622 g/cm³; (19)Flash Point: 269.7 °C; (20)Enthalpy of Vaporization: 79.58 kJ/mol; (21)Boiling Point: 522.4 °C at 760 mmHg; (22)Vapour Pressure: 5.22E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Methanone,(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-nitrophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)C(=O)c3c(Br)cc2OCCOc2c3
(2)InChI: InChI=1/C15H10BrNO5/c16-12-8-14-13(21-5-6-22-14)7-11(12)15(18)9-1-3-10(4-2-9)17(19)20/h1-4,7-8H,5-6H2
(3)InChIKey: MUQZJAFFZIHKFO-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C15H10BrNO5/c16-12-8-14-13(21-5-6-22-14)7-11(12)15(18)9-1-3-10(4-2-9)17(19)20/h1-4,7-8H,5-6H2
(5)Std. InChIKey: MUQZJAFFZIHKFO-UHFFFAOYSA-N