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Search term: QOPVMMVPDZOPDA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [1-(Cyclopropylcarbonyl)-3-piperidinyl]methyl 4-iodobenzoate | C17H20INO3

[1-(Cyclopropylcarbonyl)-3-piperidinyl]methyl 4-iodobenzoate

  • Molecular FormulaC17H20INO3
  • Average mass413.250 Da
  • Monoisotopic mass413.048767 Da
  • ChemSpider ID67273315

More details:

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

[1-(Cyclopropylcarbonyl)-3-piperidinyl]methyl 4-iodobenzoate [ACD/IUPAC Name]
[1-(Cyclopropylcarbonyl)-3-piperidinyl]methyl-4-iodbenzoat [German] [ACD/IUPAC Name]
4-Iodobenzoate de [1-(cyclopropylcarbonyl)-3-pipéridinyl]méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-iodo-, [1-(cyclopropylcarbonyl)-3-piperidinyl]methyl ester [ACD/Index 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: 513.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.6±23.2 °C
Index of Refraction: 1.615
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 441.86
ACD/KOC (pH 5.5): 2723.30
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 441.86
ACD/KOC (pH 7.4): 2723.30
Polar Surface Area: 47 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 263.5±3.0 cm3

Click to predict properties on the Chemicalize site


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