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Search term: XWLRTTISWHIMBM (Found by InChIKey (skeleton match))

ChemSpider 2D Image | N-[4-(4-Bromobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2,2-trifluoroacetamide | C17H12BrF3N2O3

N-[4-(4-Bromobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2,2-trifluoroacetamide

  • Molecular FormulaC17H12BrF3N2O3
  • Average mass429.188 Da
  • Monoisotopic mass427.998322 Da
  • ChemSpider ID28908531

More details:






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

Acetamide, N-[4-[(4-bromophenyl)methyl]-3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl]-2,2,2-trifluoro- [ACD/Index Name]
N-[4-(4-Brombenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2,2-trifluoracetamid [German] [ACD/IUPAC Name]
N-[4-(4-Bromobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2,2-trifluoroacetamide [ACD/IUPAC Name]
N-[4-(4-Bromobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-2,2,2-trifluoroacétamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 618.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.6±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 90.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 281.31
ACD/KOC (pH 5.5): 1971.13
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.01
ACD/KOC (pH 7.4): 1947.98
Polar Surface Area: 59 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 258.8±3.0 cm3

Click to predict properties on the Chemicalize site






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