Found 16 results

Search term: MF = 'C_{12}H_{5}BrO_{3}'
ChemSpider 2D Image | 3-[(3-Bromophenyl)ethynyl]-2,5-furandione | C12H5BrO3

3-[(3-Bromophenyl)ethynyl]-2,5-furandione

  • Molecular FormulaC12H5BrO3
  • Average mass277.070 Da
  • Monoisotopic mass275.942200 Da
  • ChemSpider ID83512573

More details:

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

2,5-Furandione, 3-[2-(3-bromophenyl)ethynyl]- [ACD/Index Name]
3-[(3-Bromophenyl)ethynyl]-2,5-furandione [ACD/IUPAC Name]
3-[(3-Bromophényl)éthynyl]-2,5-furanedione [French] [ACD/IUPAC Name]
3-[(3-Bromphenyl)ethinyl]-2,5-furandion [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 397.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.0±27.9 °C
Index of Refraction: 1.673
Molar Refractivity: 59.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.35
ACD/KOC (pH 5.5): 662.71
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.35
ACD/KOC (pH 7.4): 662.71
Polar Surface Area: 43 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 159.8±5.0 cm3

Click to predict properties on the Chemicalize site


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