ChemSpider 2D Image | Methyl 3-iodo-4-(1-piperidinyl)benzoate | C13H16INO2

Methyl 3-iodo-4-(1-piperidinyl)benzoate

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID23960147

More details:






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

3-Iodo-4-(1-pipéridinyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-4-(1-piperidinyl)-, methyl ester [ACD/Index Name]
Methyl 3-iodo-4-(1-piperidinyl)benzoate [ACD/IUPAC Name]
Methyl-3-iod-4-(1-piperidinyl)benzoat [German] [ACD/IUPAC Name]
1131614-63-5 [RN]
3-iodo-4-(1-piperidinyl)benzoic acid methyl ester
methyl 3-iodanyl-4-piperidin-1-yl-benzoate
methyl 3-iodo-4-(piperidin-1-yl)benzoate
methyl 3-iodo-4-piperidylbenzoate
methyl3-iodo-4-(piperidin-1-yl)benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 422.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 209.2±27.3 °C
Index of Refraction: 1.599
Molar Refractivity: 75.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 483.98
ACD/KOC (pH 5.5): 2902.99
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 486.15
ACD/KOC (pH 7.4): 2916.00
Polar Surface Area: 30 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 221.7±3.0 cm3

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