ChemSpider 2D Image | 5-[(4-Iodophenoxy)methyl]-1,2-oxazole-3-carboxylic acid | C11H8INO4

5-[(4-Iodophenoxy)methyl]-1,2-oxazole-3-carboxylic acid

  • Molecular FormulaC11H8INO4
  • Average mass345.090 Da
  • Monoisotopic mass344.949799 Da
  • ChemSpider ID38530064

More details:

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

3-Isoxazolecarboxylic acid, 5-[(4-iodophenoxy)methyl]- [ACD/Index Name]
5-[(4-Iodophenoxy)methyl]-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
5-[(4-Iodphenoxy)methyl]-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 5-[(4-iodophénoxy)méthyl]-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 507.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.7±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.41
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 184.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement