ChemSpider 2D Image | N-[2-(3-Bromo-4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide | C17H12BrF3N2O3

N-[2-(3-Bromo-4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide

  • Molecular FormulaC17H12BrF3N2O3
  • Average mass429.188 Da
  • Monoisotopic mass427.998322 Da
  • ChemSpider ID44262790

More details:

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

Acetamide, N-[2-(3-bromo-4-methoxyphenyl)-7-methyl-5-benzoxazolyl]-2,2,2-trifluoro- [ACD/Index Name]
N-[2-(3-Brom-4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]-2,2,2-trifluoracetamid [German] [ACD/IUPAC Name]
N-[2-(3-Bromo-4-methoxyphenyl)-7-methyl-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacetamide [ACD/IUPAC Name]
N-[2-(3-Bromo-4-méthoxyphényl)-7-méthyl-1,3-benzoxazol-5-yl]-2,2,2-trifluoroacétamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 488.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.0±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1102.13
ACD/KOC (pH 5.5): 5238.09
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1069.42
ACD/KOC (pH 7.4): 5082.61
Polar Surface Area: 64 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 270.8±3.0 cm3

Click to predict properties on the Chemicalize site


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