ChemSpider 2D Image | 5-Isocyanato-2H-benzimidazol-2-one | C8H3N3O2

5-Isocyanato-2H-benzimidazol-2-one

  • Molecular FormulaC8H3N3O2
  • Average mass173.128 Da
  • Monoisotopic mass173.022522 Da
  • ChemSpider ID60970788

More details:

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

2H-Benzimidazol-2-one, 5-isocyanato- [ACD/Index Name]
5-Isocyanato-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
5-Isocyanato-2H-benzimidazol-2-one [ACD/IUPAC Name]
5-Isocyanato-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
1505930-79-9 [RN]
MFCD26599540

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

Density: 1.5±0.1 g/cm3
Boiling Point: 251.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 99.7±35.5 °C
Index of Refraction: 1.732
Molar Refractivity: 45.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.17
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.27
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.27
Polar Surface Area: 71 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 113.0±7.0 cm3

Click to predict properties on the Chemicalize site


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