ChemSpider 2D Image | 5-Iodo-4-methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid | C13H16INO5

5-Iodo-4-methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

  • Molecular FormulaC13H16INO5
  • Average mass393.174 Da
  • Monoisotopic mass393.007294 Da
  • ChemSpider ID71102774

More details:

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

5-Iod-4-methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoesäure [German] [ACD/IUPAC Name]
5-Iodo-4-methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid [ACD/IUPAC Name]
Acide 5-iodo-4-méthoxy-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-iodo-4-methoxy- [ACD/Index Name]
2-{[(tert-butoxy)carbonyl]amino}-5-iodo-4-methoxybenzoic acid
2287302-53-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 408.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 200.7±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 14.05
ACD/KOC (pH 5.5): 68.29
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.33
Polar Surface Area: 85 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 237.1±3.0 cm3

Click to predict properties on the Chemicalize site


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