ChemSpider 2D Image | 2-[(6-Bromo-3-pyridazinyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid | C12H16BrN3O5

2-[(6-Bromo-3-pyridazinyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid

  • Molecular FormulaC12H16BrN3O5
  • Average mass362.177 Da
  • Monoisotopic mass361.027313 Da
  • ChemSpider ID97269397

More details:

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

2-[(6-Brom-3-pyridazinyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
2-[(6-Bromo-3-pyridazinyl)oxy]-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
Acide 2-[(6-bromo-3-pyridazinyl)oxy]-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[(6-bromo-3-pyridazinyl)oxy]-3-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.1±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 239.0±3.0 cm3

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