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Search term: WTFNJIXZXXCFCJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Bromobicyclo[1.1.0]butane-1-carbonitrile | C5H4BrN

3-Bromobicyclo[1.1.0]butane-1-carbonitrile

  • Molecular FormulaC5H4BrN
  • Average mass157.996 Da
  • Monoisotopic mass156.952698 Da
  • ChemSpider ID35791206

More details:

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

3-Brombicyclo[1.1.0]butan-1-carbonitril [German] [ACD/IUPAC Name]
3-Bromobicyclo[1.1.0]butane-1-carbonitrile [ACD/IUPAC Name]
3-Bromobicyclo[1.1.0]butane-1-carbonitrile [French] [ACD/IUPAC Name]
Bicyclo[1.1.0]butane-1-carbonitrile, 3-bromo- [ACD/Index Name]
87712-20-7 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 220.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.7±3.0 kJ/mol
Flash Point: 86.9±22.6 °C
Index of Refraction: 1.623
Molar Refractivity: 28.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.10
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.92
ACD/KOC (pH 5.5): 55.57
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.92
ACD/KOC (pH 7.4): 55.57
Polar Surface Area: 24 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 81.7±5.0 cm3

Click to predict properties on the Chemicalize site


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