ChemSpider 2D Image | 3-[(2-Iodo-4-nitrobenzoyl)(methyl)amino]-2-methylpropanoic acid | C12H13IN2O5

3-[(2-Iodo-4-nitrobenzoyl)(methyl)amino]-2-methylpropanoic acid

  • Molecular FormulaC12H13IN2O5
  • Average mass392.147 Da
  • Monoisotopic mass391.986908 Da
  • ChemSpider ID53699325

More details:

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

3-[(2-Iod-4-nitrobenzoyl)(methyl)amino]-2-methylpropansäure [German] [ACD/IUPAC Name]
3-[(2-Iodo-4-nitrobenzoyl)(methyl)amino]-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 3-[(2-iodo-4-nitrobenzoyl)(méthyl)amino]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(2-iodo-4-nitrobenzoyl)methylamino]-2-methyl- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 564.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.2±30.1 °C
Index of Refraction: 1.631
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.85
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 223.2±3.0 cm3

Click to predict properties on the Chemicalize site


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