ChemSpider 2D Image | 1-Methyl-3-nitro(2-~2~H)-1H-pyrrole | C5H5DN2O2

1-Methyl-3-nitro(2-2H)-1H-pyrrole

  • Molecular FormulaC5H5DN2O2
  • Average mass127.119 Da
  • Monoisotopic mass127.049202 Da
  • ChemSpider ID10540079

  • Non-standard isotope - Non-standard isotope

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 219.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.7±3.0 kJ/mol
Flash Point: 86.3±19.8 °C
Index of Refraction: 1.566
Molar Refractivity: 32.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.95
ACD/KOC (pH 5.5): 139.37
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.95
ACD/KOC (pH 7.4): 139.37
Polar Surface Area: 51 Å2
Polarizability: 12.9±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 99.5±7.0 cm3

Click to predict properties on the Chemicalize site


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