ChemSpider 2D Image | 2-Bromo-2-nitro-1,3-(~2~H_4_)propanediol | C3H2D4BrNO4

2-Bromo-2-nitro-1,3-(2H4)propanediol

  • Molecular FormulaC3H2D4BrNO4
  • Average mass204.013 Da
  • Monoisotopic mass202.973114 Da
  • ChemSpider ID107438811

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Propane-1,1,3,3-d4-diol, 2-bromo-2-nitro- [ACD/Index Name]
2-Brom-2-nitro-1,3-(2H4)propandiol [German] [ACD/IUPAC Name]
2-Bromo-2-nitro-1,3-(2H4)propanediol [ACD/IUPAC Name]
2-Bromo-2-nitro-1,3-(2H4)propanediol [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 358.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.9±6.0 kJ/mol
Flash Point: 170.3±27.9 °C
Index of Refraction: 1.575
Molar Refractivity: 32.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 42.92
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 42.92
Polar Surface Area: 86 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 99.1±3.0 cm3

Click to predict properties on the Chemicalize site


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