ChemSpider 2D Image | 4-Bromo-1H-pyrrole-3-carbaldehyde | C5H4BrNO

4-Bromo-1H-pyrrole-3-carbaldehyde

  • Molecular FormulaC5H4BrNO
  • Average mass173.995 Da
  • Monoisotopic mass172.947617 Da
  • ChemSpider ID67889319

More details:

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

1H-Pyrrole-3-carboxaldehyde, 4-bromo- [ACD/Index Name]
4-Brom-1H-pyrrol-3-carbaldehyd [German] [ACD/IUPAC Name]
4-Bromo-1H-pyrrole-3-carbaldehyde [ACD/IUPAC Name]
4-Bromo-1H-pyrrole-3-carbaldéhyde [French] [ACD/IUPAC Name]
1378850-57-7 [RN]
MFCD20677048

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

Density: 1.8±0.1 g/cm3
Boiling Point: 293.5±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 131.3±21.8 °C
Index of Refraction: 1.656
Molar Refractivity: 35.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.51
ACD/KOC (pH 5.5): 161.19
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.51
ACD/KOC (pH 7.4): 161.19
Polar Surface Area: 33 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 95.6±3.0 cm3

Click to predict properties on the Chemicalize site


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