ChemSpider 2D Image | Methyl 2-bromo-3-(4-nitro-1H-pyrazol-1-yl)propanoate | C7H8BrN3O4

Methyl 2-bromo-3-(4-nitro-1H-pyrazol-1-yl)propanoate

  • Molecular FormulaC7H8BrN3O4
  • Average mass278.060 Da
  • Monoisotopic mass276.969818 Da
  • ChemSpider ID37871048

More details:

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

1H-Pyrazole-1-propanoic acid, α-bromo-4-nitro-, methyl ester [ACD/Index Name]
2-Bromo-3-(4-nitro-1H-pyrazol-1-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-bromo-3-(4-nitro-1H-pyrazol-1-yl)propanoate [ACD/IUPAC Name]
Methyl-2-brom-3-(4-nitro-1H-pyrazol-1-yl)propanoat [German] [ACD/IUPAC 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: 382.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.2±26.5 °C
Index of Refraction: 1.631
Molar Refractivity: 54.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.41
ACD/KOC (pH 5.5): 100.59
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.41
ACD/KOC (pH 7.4): 100.59
Polar Surface Area: 90 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 153.2±7.0 cm3

Click to predict properties on the Chemicalize site


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