ChemSpider 2D Image | Methyl 2-[(dimethoxyphosphoryl)methyl]-1H-benzimidazole-7-carboxylate | C12H15N2O5P

Methyl 2-[(dimethoxyphosphoryl)methyl]-1H-benzimidazole-7-carboxylate

  • Molecular FormulaC12H15N2O5P
  • Average mass298.232 Da
  • Monoisotopic mass298.071869 Da
  • ChemSpider ID87269271

More details:

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

1H-Benzimidazole-7-carboxylic acid, 2-[(dimethoxyphosphinyl)methyl]-, methyl ester [ACD/Index Name]
2-[(Diméthoxyphosphoryl)méthyl]-1H-benzimidazole-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-[(dimethoxyphosphoryl)methyl]-1H-benzimidazole-7-carboxylate [ACD/IUPAC Name]
Methyl-2-[(dimethoxyphosphoryl)methyl]-1H-benzimidazol-7-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.7±24.6 °C
Index of Refraction: 1.580
Molar Refractivity: 72.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.59
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 63.42
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.17
Polar Surface Area: 100 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 219.2±3.0 cm3

Click to predict properties on the Chemicalize site


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