ChemSpider 2D Image | 2-(2,2,2-Trifluoroethyl)-1,3-benzoxazole-5-carboxylic acid | C10H6F3NO3

2-(2,2,2-Trifluoroethyl)-1,3-benzoxazole-5-carboxylic acid

  • Molecular FormulaC10H6F3NO3
  • Average mass245.155 Da
  • Monoisotopic mass245.029984 Da
  • ChemSpider ID37286342

More details:

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

1500287-53-5 [RN]
2-(2,2,2-Trifluorethyl)-1,3-benzoxazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-(2,2,2-Trifluoroethyl)-1,3-benzoxazole-5-carboxylic acid [ACD/IUPAC Name]
5-Benzoxazolecarboxylic acid, 2-(2,2,2-trifluoroethyl)- [ACD/Index Name]
Acide 2-(2,2,2-trifluoroéthyl)-1,3-benzoxazole-5-carboxylique [French] [ACD/IUPAC Name]
MFCD23556505

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

Density: 1.5±0.1 g/cm3
Boiling Point: 335.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 156.9±27.9 °C
Index of Refraction: 1.550
Molar Refractivity: 51.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.46
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 161.3±3.0 cm3

Click to predict properties on the Chemicalize site


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