ChemSpider 2D Image | Methyl 3-iodo-4-(3-piperidinyl)benzoate | C13H16INO2

Methyl 3-iodo-4-(3-piperidinyl)benzoate

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID23960148

More details:

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

1131614-64-6 [RN]
3-Iodo-4-(3-pipéridinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-4-(3-piperidinyl)-, methyl ester [ACD/Index Name]
Methyl 3-iodo-4-(3-piperidinyl)benzoate [ACD/IUPAC Name]
Methyl-3-iod-4-(3-piperidinyl)benzoat [German] [ACD/IUPAC Name]
3-iodo-4-(3-piperidinyl)benzoic acid methyl ester
methyl 3-iodanyl-4-piperidin-3-yl-benzoate
methyl 3-iodo-4-(3-piperidyl)benzoate
methyl 3-iodo-4-(piperidin-3-yl)benzoate
methyl3-iodo-4-(piperidin-3-yl)benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 398.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.5±27.9 °C
Index of Refraction: 1.581
Molar Refractivity: 75.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.68
Polar Surface Area: 38 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 226.6±3.0 cm3

Click to predict properties on the Chemicalize site


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