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

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

  • Molecular FormulaC13H16INO2
  • Average mass345.176 Da
  • Monoisotopic mass345.022552 Da
  • ChemSpider ID23960140

More details:






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

3-Iodo-4-(1-pyrrolidinylméthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-iodo-4-(1-pyrrolidinylmethyl)-, methyl ester [ACD/Index Name]
Methyl 3-iodo-4-(1-pyrrolidinylmethyl)benzoate [ACD/IUPAC Name]
Methyl-3-iod-4-(1-pyrrolidinylmethyl)benzoat [German] [ACD/IUPAC Name]
1131614-56-6 [RN]
3-iodo-4-(1-pyrrolidinylmethyl)benzoic acid methyl ester
methyl 3-iodanyl-4-(pyrrolidin-1-ylmethyl)benzoate
methyl 3-iodo-4-(pyrrolidin-1-ylmethyl)benzoate
methyl 3-iodo-4-(pyrrolidinylmethyl)benzoate
methyl3-iodo-4-(pyrrolidin-1-ylmethyl)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: 391.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.1±3.0 kJ/mol
Flash Point: 190.3±26.5 °C
Index of Refraction: 1.613
Molar Refractivity: 75.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 19.83
Polar Surface Area: 30 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 218.0±3.0 cm3

Click to predict properties on the Chemicalize site


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