Found 74 results

Search term: MF = 'C_{27}H_{20}BrNO_{3}'
ChemSpider 2D Image | 2-(4-Bromo-1,3-benzodioxol-5-yl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine | C27H20BrNO3

2-(4-Bromo-1,3-benzodioxol-5-yl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine

  • Molecular FormulaC27H20BrNO3
  • Average mass486.357 Da
  • Monoisotopic mass485.062653 Da
  • ChemSpider ID21593589

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(4-Brom-1,3-benzodioxol-5-yl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazin [German] [ACD/IUPAC Name]
2-(4-Bromo-1,3-benzodioxol-5-yl)-4,4-diphenyl-1,4-dihydro-2H-3,1-benzoxazine [ACD/IUPAC Name]
2-(4-Bromo-1,3-benzodioxol-5-yl)-4,4-diphényl-1,4-dihydro-2H-3,1-benzoxazine [French] [ACD/IUPAC Name]
2H-3,1-Benzoxazine, 2-(4-bromo-1,3-benzodioxol-5-yl)-1,4-dihydro-4,4-diphenyl- [ACD/Index Name]
2-(4-Bromo-benzo[1,3]dioxol-5-yl)-4,4-diphenyl-1,4-dihydro-2H-benzo[d][1,3]oxazine
5-(4,4-diphenyl(1H,2H-benzo[d]1,3-oxazin-2-yl))-4-bromo-2H-benzo[d]1,3-dioxolene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 591.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.3±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 125.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31614.79
ACD/KOC (pH 5.5): 57889.58
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31616.15
ACD/KOC (pH 7.4): 57892.06
Polar Surface Area: 40 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 341.7±3.0 cm3

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