ChemSpider 2D Image | (1R)-1-(2,4-Dinitrophenyl)-2-nitroethanol | C8H7N3O7

(1R)-1-(2,4-Dinitrophenyl)-2-nitroethanol

  • Molecular FormulaC8H7N3O7
  • Average mass257.157 Da
  • Monoisotopic mass257.028412 Da
  • ChemSpider ID74168680

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-1-(2,4-Dinitrophenyl)-2-nitroethanol [German] [ACD/IUPAC Name]
(1R)-1-(2,4-Dinitrophenyl)-2-nitroethanol [ACD/IUPAC Name]
(1R)-1-(2,4-Dinitrophényl)-2-nitroéthanol [French] [ACD/IUPAC Name]
Benzenemethanol, 2,4-dinitro-α-(nitromethyl)-, (αR)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 516.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 226.6±18.6 °C
Index of Refraction: 1.639
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 2.14
ACD/KOC (pH 5.5): 59.31
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.48
Polar Surface Area: 158 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 157.0±3.0 cm3

Click to predict properties on the Chemicalize site


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