ChemSpider 2D Image | 4-Iodo-1-(3-isobutoxypropyl)-1H-pyrrole-2-carboxylic acid | C12H18INO3

4-Iodo-1-(3-isobutoxypropyl)-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC12H18INO3
  • Average mass351.181 Da
  • Monoisotopic mass351.033142 Da
  • ChemSpider ID56631128

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-iodo-1-[3-(2-methylpropoxy)propyl]- [ACD/Index Name]
4-Iod-1-(3-isobutoxypropyl)-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4-Iodo-1-(3-isobutoxypropyl)-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-iodo-1-(3-isobutoxypropyl)-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC 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: 432.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 215.3±27.3 °C
Index of Refraction: 1.578
Molar Refractivity: 74.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 6.88
ACD/KOC (pH 5.5): 56.03
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 51 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 225.0±7.0 cm3

Click to predict properties on the Chemicalize site


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