ChemSpider 2D Image | [1-(7,8-Dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethyl]phosphonic acid | C12H15N2O5P

[1-(7,8-Dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethyl]phosphonic acid

  • Molecular FormulaC12H15N2O5P
  • Average mass298.232 Da
  • Monoisotopic mass298.071869 Da
  • ChemSpider ID86604993

More details:

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

[1-(7,8-Dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethyl]phosphonic acid [ACD/IUPAC Name]
[1-(7,8-Dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [1-(7,8-dihydro-1H,6H-[1,4]dioxépino[2,3-f]benzimidazol-2-yl)éthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [1-(7,8-dihydro-1H,6H-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)ethyl]- [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: 621.6±57.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.7±32.1 °C
Index of Refraction: 1.657
Molar Refractivity: 71.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -2.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 79.7±3.0 dyne/cm
Molar Volume: 194.5±3.0 cm3

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