ChemSpider 2D Image | 4-(3-Nitrophenyl)-1,2,5-oxadiazole-3-carbonitrile 2-oxide | C9H4N4O4

4-(3-Nitrophenyl)-1,2,5-oxadiazole-3-carbonitrile 2-oxide

  • Molecular FormulaC9H4N4O4
  • Average mass232.152 Da
  • Monoisotopic mass232.023254 Da
  • ChemSpider ID24635220

More details:

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

1,2,5-Oxadiazole-3-carbonitrile, 4-(3-nitrophenyl)-, 2-oxide [ACD/Index Name]
2-Oxyde de 4-(3-nitrophényl)-1,2,5-oxadiazole-3-carbonitrile [French] [ACD/IUPAC Name]
4-(3-Nitrophenyl)-1,2,5-oxadiazol-3-carbonitril-2-oxid [German] [ACD/IUPAC Name]
4-(3-Nitrophenyl)-1,2,5-oxadiazole-3-carbonitrile 2-oxide [ACD/IUPAC Name]
1147335-57-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 500.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.6±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 55.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.65
ACD/KOC (pH 5.5): 149.34
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.65
ACD/KOC (pH 7.4): 149.34
Polar Surface Area: 121 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 79.3±7.0 dyne/cm
Molar Volume: 141.9±7.0 cm3

Click to predict properties on the Chemicalize site


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