ChemSpider 2D Image | 3-Nitro(2-~2~H)-1H-pyrrole | C4H3DN2O2

3-Nitro(2-2H)-1H-pyrrole

  • Molecular FormulaC4H3DN2O2
  • Average mass113.093 Da
  • Monoisotopic mass113.033554 Da
  • ChemSpider ID10540085
  • Non-standard isotope - Non-standard isotope


More details:






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

1H-Pyrrole-2-d, 3-nitro- [ACD/Index Name]
3-Nitro(2-2H)-1H-pyrrol [German] [ACD/IUPAC Name]
3-Nitro(2-2H)-1H-pyrrole [ACD/IUPAC Name]
3-Nitro(2-2H)-1H-pyrrole [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 267.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.6±3.0 kJ/mol
Flash Point: 115.8±19.8 °C
Index of Refraction: 1.600
Molar Refractivity: 27.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 87.89
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 87.89
Polar Surface Area: 62 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 79.6±3.0 cm3

Click to predict properties on the Chemicalize site






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