ChemSpider 2D Image | {2-[6-(Ethoxycarbonyl)-1H-benzimidazol-2-yl]ethyl}phosphonic acid | C12H15N2O5P

{2-[6-(Ethoxycarbonyl)-1H-benzimidazol-2-yl]ethyl}phosphonic acid

  • Molecular FormulaC12H15N2O5P
  • Average mass298.232 Da
  • Monoisotopic mass298.071869 Da
  • ChemSpider ID91768329

More details:

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

{2-[6-(Ethoxycarbonyl)-1H-benzimidazol-2-yl]ethyl}phosphonic acid [ACD/IUPAC Name]
{2-[6-(Ethoxycarbonyl)-1H-benzimidazol-2-yl]ethyl}phosphonsäure [German] [ACD/IUPAC Name]
1H-Benzimidazole-6-carboxylic acid, 2-(2-phosphonoethyl)-, 6-ethyl ester [ACD/Index Name]
Acide {2-[6-(éthoxycarbonyl)-1H-benzimidazol-2-yl]éthyl}phosphonique [French] [ACD/IUPAC 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: 620.7±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 329.2±33.2 °C
Index of Refraction: 1.639
Molar Refractivity: 72.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -2.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 74.4±3.0 dyne/cm
Molar Volume: 201.5±3.0 cm3

Click to predict properties on the Chemicalize site


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