ChemSpider 2D Image | 1-Bromo-3-[(4-methylphenyl)sulfonyl]bicyclo[1.1.1]pentane | C12H13BrO2S

1-Bromo-3-[(4-methylphenyl)sulfonyl]bicyclo[1.1.1]pentane

  • Molecular FormulaC12H13BrO2S
  • Average mass301.199 Da
  • Monoisotopic mass299.981964 Da
  • ChemSpider ID84426975

More details:

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

1-Brom-3-[(4-methylphenyl)sulfonyl]bicyclo[1.1.1]pentan [German] [ACD/IUPAC Name]
1-Bromo-3-[(4-methylphenyl)sulfonyl]bicyclo[1.1.1]pentane [ACD/IUPAC Name]
1-Bromo-3-[(4-méthylphényl)sulfonyl]bicyclo[1.1.1]pentane [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane, 1-bromo-3-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
1-bromo-3-(4-methylbenzenesulfonyl)bicyclo[1.1.1]pentane
2411257-96-8 [RN]
MFCD32648730

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

Density: 1.7±0.1 g/cm3
Boiling Point: 423.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.2±3.0 kJ/mol
Flash Point: 209.9±28.7 °C
Index of Refraction: 1.681
Molar Refractivity: 67.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.20
ACD/KOC (pH 5.5): 507.01
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.20
ACD/KOC (pH 7.4): 507.01
Polar Surface Area: 43 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 177.2±3.0 cm3

Click to predict properties on the Chemicalize site


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