ChemSpider 2D Image | 2-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-iodobenzoic acid | C12H11IN2O4

2-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-iodobenzoic acid

  • Molecular FormulaC12H11IN2O4
  • Average mass374.131 Da
  • Monoisotopic mass373.976349 Da
  • ChemSpider ID45056804

More details:

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

2-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-iodbenzoesäure [German] [ACD/IUPAC Name]
2-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-iodobenzoic acid [ACD/IUPAC Name]
Acide 2-[(3-éthyl-1,2,4-oxadiazol-5-yl)méthoxy]-5-iodobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-iodo- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 522.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 270.0±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.40
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

Click to predict properties on the Chemicalize site


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