Found 16 results

Search term: MF = 'C_{12}H_{5}BrO_{3}'
ChemSpider 2D Image | 5-[(3E)-4-Bromo-3-buten-1-yn-1-yl]-2-benzofuran-1,3-dione | C12H5BrO3

5-[(3E)-4-Bromo-3-buten-1-yn-1-yl]-2-benzofuran-1,3-dione

  • Molecular FormulaC12H5BrO3
  • Average mass277.070 Da
  • Monoisotopic mass275.942200 Da
  • ChemSpider ID92675303

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Isobenzofurandione, 5-[(3E)-4-bromo-3-buten-1-yn-1-yl]- [ACD/Index Name]
5-[(3E)-4-Brom-3-buten-1-in-1-yl]-2-benzofuran-1,3-dion [German] [ACD/IUPAC Name]
5-[(3E)-4-Bromo-3-buten-1-yn-1-yl]-2-benzofuran-1,3-dione [ACD/IUPAC Name]
5-[(3E)-4-Bromo-3-butén-1-yn-1-yl]-2-benzofurane-1,3-dione [French] [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: 414.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.3±28.7 °C
Index of Refraction: 1.678
Molar Refractivity: 60.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.43
ACD/KOC (pH 5.5): 1009.36
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.43
ACD/KOC (pH 7.4): 1009.36
Polar Surface Area: 43 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 159.5±5.0 cm3

Click to predict properties on the Chemicalize site


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