ChemSpider 2D Image | 3-(3-Bromo-3-buten-1-yl)phenyl acetate | C12H13BrO2

3-(3-Bromo-3-buten-1-yl)phenyl acetate

  • Molecular FormulaC12H13BrO2
  • Average mass269.134 Da
  • Monoisotopic mass268.009888 Da
  • ChemSpider ID21396319

More details:

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

3-(3-Brom-3-buten-1-yl)phenyl-acetat [German] [ACD/IUPAC Name]
3-(3-Bromo-3-buten-1-yl)phenyl acetate [ACD/IUPAC Name]
Acétate de 3-(3-bromo-3-butén-1-yl)phényle [French] [ACD/IUPAC Name]
Phenol, 3-(3-bromo-3-buten-1-yl)-, acetate [ACD/Index Name]
[3-(3-bromobut-3-enyl)phenyl] acetate
3-(3-Bromobut-3-en-1-yl)phenyl acetate
4-(3-Acetoxyphenyl)-2-bromo-1-butene
890097-82-2 [RN]
MFCD07782976 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 299.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.9±3.0 kJ/mol
Flash Point: 134.7±24.0 °C
Index of Refraction: 1.547
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 331.71
ACD/KOC (pH 5.5): 2218.04
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 331.71
ACD/KOC (pH 7.4): 2218.04
Polar Surface Area: 26 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 201.0±3.0 cm3

Click to predict properties on the Chemicalize site


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