ChemSpider 2D Image | 3-(4-Nitrophenyl)bicyclo[1.1.1]pentane-1-carboxylic acid | C12H11NO4

3-(4-Nitrophenyl)bicyclo[1.1.1]pentane-1-carboxylic acid

  • Molecular FormulaC12H11NO4
  • Average mass233.220 Da
  • Monoisotopic mass233.068802 Da
  • ChemSpider ID115036472

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-(4-Nitrophenyl)bicyclo[1.1.1]pentan-1-carbonsäure [German] [ACD/IUPAC Name]
3-(4-Nitrophenyl)bicyclo[1.1.1]pentane-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-(4-nitrophényl)bicyclo[1.1.1]pentane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(4-nitrophenyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 420.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 183.5±17.2 °C
Index of Refraction: 1.716
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 30.96
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 92.0±3.0 dyne/cm
Molar Volume: 147.5±3.0 cm3

Click to predict properties on the Chemicalize site


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