ChemSpider 2D Image | (1S,2E,4S)-2-(4-Bromobenzylidene)-4-chlorocyclobutyl benzoate | C18H14BrClO2

(1S,2E,4S)-2-(4-Bromobenzylidene)-4-chlorocyclobutyl benzoate

  • Molecular FormulaC18H14BrClO2
  • Average mass377.660 Da
  • Monoisotopic mass375.986572 Da
  • ChemSpider ID30658735

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2E,4S)-2-(4-Brombenzyliden)-4-chlorcyclobutyl-benzoat [German] [ACD/IUPAC Name]
(1S,2E,4S)-2-(4-Bromobenzylidene)-4-chlorocyclobutyl benzoate [ACD/IUPAC Name]
Benzoate de (1S,2E,4S)-2-(4-bromobenzylidène)-4-chlorocyclobutyle [French] [ACD/IUPAC Name]
Cyclobutanol, 2-[(4-bromophenyl)methylene]-4-chloro-, benzoate, (1S,2E,4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 488.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 249.1±28.7 °C
Index of Refraction: 1.645
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9773.68
ACD/KOC (pH 5.5): 24984.64
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9773.68
ACD/KOC (pH 7.4): 24984.64
Polar Surface Area: 26 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 251.6±5.0 cm3

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