Found 16 results

Search term: MF = 'C_{12}H_{5}BrO_{3}'
ChemSpider 2D Image | 3-(6-Bromo-1-oxo-1H-inden-2-yl)-2-propynoic acid | C12H5BrO3

3-(6-Bromo-1-oxo-1H-inden-2-yl)-2-propynoic acid

  • Molecular FormulaC12H5BrO3
  • Average mass277.070 Da
  • Monoisotopic mass275.942200 Da
  • ChemSpider ID86848214

More details:

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

2-Propynoic acid, 3-(6-bromo-1-oxo-1H-inden-2-yl)- [ACD/Index Name]
3-(6-Brom-1-oxo-1H-inden-2-yl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(6-Bromo-1-oxo-1H-inden-2-yl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(6-bromo-1-oxo-1H-indén-2-yl)-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 499.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 256.0±28.7 °C
Index of Refraction: 1.723
Molar Refractivity: 59.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 81.4±5.0 dyne/cm
Molar Volume: 150.6±5.0 cm3

Click to predict properties on the Chemicalize site


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