ChemSpider 2D Image | N-[4-Bromo-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide | C17H12BrF3N2O3

N-[4-Bromo-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide

  • Molecular FormulaC17H12BrF3N2O3
  • Average mass429.188 Da
  • Monoisotopic mass427.998322 Da
  • ChemSpider ID22026357

More details:






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

4H-1,4-Benzoxazine-4-acetamide, N-[4-bromo-3-(trifluoromethyl)phenyl]-2,3-dihydro-3-oxo- [ACD/Index Name]
N-[4-Brom-3-(trifluormethyl)phenyl]-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamid [German] [ACD/IUPAC Name]
N-[4-Bromo-3-(trifluoromethyl)phenyl]-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide [ACD/IUPAC Name]
N-[4-Bromo-3-(trifluorométhyl)phényl]-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 614.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.2±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 326.95
ACD/KOC (pH 5.5): 2195.19
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 326.94
ACD/KOC (pH 7.4): 2195.08
Polar Surface Area: 59 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 263.1±3.0 cm3

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