ChemSpider 2D Image | (7S)-7-Bromobicyclo[4.2.0]octa-1,3,5-triene | C8H7Br

(7S)-7-Bromobicyclo[4.2.0]octa-1,3,5-triene

  • Molecular FormulaC8H7Br
  • Average mass183.045 Da
  • Monoisotopic mass181.973099 Da
  • ChemSpider ID98607246

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(7S)-7-Brombicyclo[4.2.0]octa-1,3,5-trien [German] [ACD/IUPAC Name]
(7S)-7-Bromobicyclo[4.2.0]octa-1,3,5-triene [ACD/IUPAC Name]
(7S)-7-Bromobicyclo[4.2.0]octa-1,3,5-triène [French] [ACD/IUPAC Name]
Bicyclo[4.2.0]octa-1,3,5-triene, 7-bromo-, (7S)- [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: 220.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.8±3.0 kJ/mol
Flash Point: 75.2±13.9 °C
Index of Refraction: 1.642
Molar Refractivity: 41.6±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.64
ACD/KOC (pH 5.5): 1010.75
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.64
ACD/KOC (pH 7.4): 1010.75
Polar Surface Area: 0 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 115.1±3.0 cm3

Click to predict properties on the Chemicalize site


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