ChemSpider 2D Image | Methyl N-(2-iodobenzoyl)alaninate | C11H12INO3

Methyl N-(2-iodobenzoyl)alaninate

  • Molecular FormulaC11H12INO3
  • Average mass333.122 Da
  • Monoisotopic mass332.986176 Da
  • ChemSpider ID21196947

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Alanine, N-(2-iodobenzoyl)-, methyl ester [ACD/Index Name]
Methyl N-(2-iodobenzoyl)alaninate [ACD/IUPAC Name]
Methyl-N-(2-iodbenzoyl)alaninat [German] [ACD/IUPAC Name]
N-(2-Iodobenzoyl)alaninate de méthyle [French] [ACD/IUPAC Name]
294665-16-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 390.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 189.8±30.7 °C
Index of Refraction: 1.597
Molar Refractivity: 69.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 35.99
ACD/KOC (pH 5.5): 435.86
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 24.86
ACD/KOC (pH 7.4): 300.98
Polar Surface Area: 59 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 202.8±7.0 cm3

Click to predict properties on the Chemicalize site


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