ChemSpider 2D Image | Methyl 6-(trifluoromethyl)-1,2-benzoxazole-3-carboxylate | C10H6F3NO3

Methyl 6-(trifluoromethyl)-1,2-benzoxazole-3-carboxylate

  • Molecular FormulaC10H6F3NO3
  • Average mass245.155 Da
  • Monoisotopic mass245.029984 Da
  • ChemSpider ID38775296

More details:

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

1,2-Benzisoxazole-3-carboxylic acid, 6-(trifluoromethyl)-, methyl ester [ACD/Index Name]
6-(Trifluorométhyl)-1,2-benzoxazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-(trifluoromethyl)-1,2-benzoxazole-3-carboxylate [ACD/IUPAC Name]
Methyl-6-(trifluormethyl)-1,2-benzoxazol-3-carboxylat [German] [ACD/IUPAC Name]
Methyl 6-(trifluoromethyl)benzo[d]isoxazole-3-carboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 299.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 135.2±25.9 °C
Index of Refraction: 1.511
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.30
ACD/KOC (pH 5.5): 541.76
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.30
ACD/KOC (pH 7.4): 541.76
Polar Surface Area: 52 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 171.0±3.0 cm3

Click to predict properties on the Chemicalize site


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