ChemSpider 2D Image | Methyl N-[(5-iodo-1H-pyrazol-4-yl)carbonyl]-O-methylserinate | C9H12IN3O4

Methyl N-[(5-iodo-1H-pyrazol-4-yl)carbonyl]-O-methylserinate

  • Molecular FormulaC9H12IN3O4
  • Average mass353.114 Da
  • Monoisotopic mass352.987244 Da
  • ChemSpider ID68091412

More details:

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

Methyl N-[(5-iodo-1H-pyrazol-4-yl)carbonyl]-O-methylserinate [ACD/IUPAC Name]
Methyl-N-[(5-iod-1H-pyrazol-4-yl)carbonyl]-O-methylserinat [German] [ACD/IUPAC Name]
N-[(5-Iodo-1H-pyrazol-4-yl)carbonyl]-O-méthylsérinate de méthyle [French] [ACD/IUPAC Name]
Serine, N-[(5-iodo-1H-pyrazol-4-yl)carbonyl]-O-methyl-, methyl ester [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: 561.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.1±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 70.67
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 67.82
Polar Surface Area: 93 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 199.6±3.0 cm3

Click to predict properties on the Chemicalize site


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