Found 12 results

Search term: MF = 'C_{11}H_{5}N_{3}O_{4}'
ChemSpider 2D Image | 2-Hydroxy-5-(3-isocyanato-1-propyn-1-yl)-3-nitrobenzonitrile | C11H5N3O4

2-Hydroxy-5-(3-isocyanato-1-propyn-1-yl)-3-nitrobenzonitrile

  • Molecular FormulaC11H5N3O4
  • Average mass243.175 Da
  • Monoisotopic mass243.028000 Da
  • ChemSpider ID96286479

More details:

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

2-Hydroxy-5-(3-isocyanato-1-propin-1-yl)-3-nitrobenzonitril [German] [ACD/IUPAC Name]
2-Hydroxy-5-(3-isocyanato-1-propyn-1-yl)-3-nitrobenzonitrile [ACD/IUPAC Name]
2-Hydroxy-5-(3-isocyanato-1-propyn-1-yl)-3-nitrobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-hydroxy-5-(3-isocyanato-1-propyn-1-yl)-3-nitro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 371.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.2±3.0 kJ/mol
Flash Point: 178.2±27.9 °C
Index of Refraction: 1.606
Molar Refractivity: 63.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.83
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 182.7±7.0 cm3

Click to predict properties on the Chemicalize site


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