Found 78 results

Search term: MF = 'C_{13}H_{7}BrOS'
ChemSpider 2D Image | 4-Bromo-3-(phenylethynyl)-2-thiophenecarbaldehyde | C13H7BrOS

4-Bromo-3-(phenylethynyl)-2-thiophenecarbaldehyde

  • Molecular FormulaC13H7BrOS
  • Average mass291.163 Da
  • Monoisotopic mass289.940094 Da
  • ChemSpider ID83001677

More details:

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

2-Thiophenecarboxaldehyde, 4-bromo-3-(2-phenylethynyl)- [ACD/Index Name]
4-Brom-3-(phenylethinyl)-2-thiophencarbaldehyd [German] [ACD/IUPAC Name]
4-Bromo-3-(phenylethynyl)-2-thiophenecarbaldehyde [ACD/IUPAC Name]
4-Bromo-3-(phényléthynyl)-2-thiophènecarbaldéhyde [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 430.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.4±28.7 °C
Index of Refraction: 1.686
Molar Refractivity: 69.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 765.26
ACD/KOC (pH 5.5): 4034.91
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 765.26
ACD/KOC (pH 7.4): 4034.91
Polar Surface Area: 45 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 182.8±5.0 cm3

Click to predict properties on the Chemicalize site


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