ChemSpider 2D Image | 2,4-Dinitro-6-[(2R)-2-pentanyl]phenol | C11H14N2O5

2,4-Dinitro-6-[(2R)-2-pentanyl]phenol

  • Molecular FormulaC11H14N2O5
  • Average mass254.239 Da
  • Monoisotopic mass254.090271 Da
  • ChemSpider ID34991523

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Dinitro-6-[(2R)-2-pentanyl]phenol [German] [ACD/IUPAC Name]
2,4-Dinitro-6-[(2R)-2-pentanyl]phenol [ACD/IUPAC Name]
2,4-Dinitro-6-[(2R)-2-pentanyl]phénol [French] [ACD/IUPAC Name]
Phenol, 2-[(1R)-1-methylbutyl]-4,6-dinitro- [ACD/Index Name]
4097-36-3 [RN]
Dinosam [Trade name]
UNII-J04VBD97F1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 333.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 136.5±16.3 °C
Index of Refraction: 1.579
Molar Refractivity: 64.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 13.82
ACD/KOC (pH 5.5): 85.10
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.01
Polar Surface Area: 112 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 194.6±3.0 cm3

Click to predict properties on the Chemicalize site


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