ChemSpider 2D Image | Ethyl 3-iodo-4-(1-pyrrolidinyl)benzoate | C13H16INO2

Ethyl 3-iodo-4-(1-pyrrolidinyl)benzoate

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID23960141

More details:






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

3-Iodo-4-(1-pyrrolidinyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-4-(1-pyrrolidinyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-iodo-4-(1-pyrrolidinyl)benzoate [ACD/IUPAC Name]
Ethyl-3-iod-4-(1-pyrrolidinyl)benzoat [German] [ACD/IUPAC Name]
1131614-57-7 [RN]
3-iodo-4-(1-pyrrolidinyl)benzoic acid ethyl ester
ethyl 3-iodanyl-4-pyrrolidin-1-yl-benzoate
ethyl 3-iodo-4-(pyrrolidin-1-yl)benzoate
ethyl 3-iodo-4-pyrrolidinylbenzoate
ethyl3-iodo-4-(pyrrolidin-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: 420.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 207.9±27.3 °C
Index of Refraction: 1.604
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 432.52
ACD/KOC (pH 5.5): 2681.12
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.01
ACD/KOC (pH 7.4): 2684.16
Polar Surface Area: 30 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 220.4±3.0 cm3

Click to predict properties on the Chemicalize site





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