ChemSpider 2D Image | 4-Bromo-1-[2-(1,3-dioxan-2-yl)ethyl]-3-nitro-1H-pyrazole | C9H12BrN3O4

4-Bromo-1-[2-(1,3-dioxan-2-yl)ethyl]-3-nitro-1H-pyrazole

  • Molecular FormulaC9H12BrN3O4
  • Average mass306.113 Da
  • Monoisotopic mass305.001099 Da
  • ChemSpider ID49521593

More details:

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

1H-Pyrazole, 4-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]-3-nitro- [ACD/Index Name]
4-Brom-1-[2-(1,3-dioxan-2-yl)ethyl]-3-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
4-Bromo-1-[2-(1,3-dioxan-2-yl)ethyl]-3-nitro-1H-pyrazole [ACD/IUPAC Name]
4-Bromo-1-[2-(1,3-dioxan-2-yl)éthyl]-3-nitro-1H-pyrazole [French] [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: 401.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 196.9±25.9 °C
Index of Refraction: 1.664
Molar Refractivity: 61.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.61
ACD/KOC (pH 5.5): 87.18
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.61
ACD/KOC (pH 7.4): 87.18
Polar Surface Area: 82 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 166.9±7.0 cm3

Click to predict properties on the Chemicalize site


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