ChemSpider 2D Image | (2S)-2-(2,4-Dinitrophenoxy)hexahydro-4H-1,3,2-benzodioxaphosphinine 2-oxide | C13H15N2O8P

(2S)-2-(2,4-Dinitrophenoxy)hexahydro-4H-1,3,2-benzodioxaphosphinine 2-oxide

  • Molecular FormulaC13H15N2O8P
  • Average mass358.241 Da
  • Monoisotopic mass358.056610 Da
  • ChemSpider ID24534730

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2S)-2-(2,4-Dinitrophenoxy)hexahydro-4H-1,3,2-benzodioxaphosphinin-2-oxid [German] [ACD/IUPAC Name]
(2S)-2-(2,4-Dinitrophenoxy)hexahydro-4H-1,3,2-benzodioxaphosphinine 2-oxide [ACD/IUPAC Name]
2-Oxyde de (2S)-2-(2,4-dinitrophénoxy)hexahydro-4H-1,3,2-benzodioxaphosphinine [French] [ACD/IUPAC Name]
4H-1,3,2-Benzodioxaphosphorin, 2-(2,4-dinitrophenoxy)hexahydro-, 2-oxide, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 467.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 236.8±28.7 °C
Index of Refraction: 1.585
Molar Refractivity: 79.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.73
ACD/KOC (pH 5.5): 696.25
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.73
ACD/KOC (pH 7.4): 696.25
Polar Surface Area: 146 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 235.9±5.0 cm3

Click to predict properties on the Chemicalize site


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