ChemSpider 2D Image | 2-Bromotetracyclo[3.2.0.0~2,7~.0~4,6~]heptan-3-one | C7H5BrO

2-Bromotetracyclo[3.2.0.02,7.04,6]heptan-3-one

  • Molecular FormulaC7H5BrO
  • Average mass185.018 Da
  • Monoisotopic mass183.952377 Da
  • ChemSpider ID24213926

More details:






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

2-Bromotetracyclo[3.2.0.02,7.04,6]heptan-3-one [ACD/IUPAC Name]
2-Bromotétracyclo[3.2.0.02,7.04,6]heptan-3-one [French] [ACD/IUPAC Name]
2-Bromtetracyclo[3.2.0.02,7.04,6]heptan-3-on [German] [ACD/IUPAC Name]
Tetracyclo[3.2.0.02,7.04,6]heptan-3-one, 2-bromo- [ACD/Index Name]
183059-02-1 [RN]
2-bromotetracyclo[3.2.0.02,7.04,6]heptan-3-one
Tetracyclo[3.2.0.02,7.04,6]heptanone, 2-bromo- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point: 241.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.8±3.0 kJ/mol
Flash Point: 135.1±9.9 °C
Index of Refraction: 1.914
Molar Refractivity: 34.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 82.47
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 82.47
Polar Surface Area: 17 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 110.8±3.0 dyne/cm
Molar Volume: 72.9±3.0 cm3

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