ChemSpider 2D Image | 3,5-Diamino-1-(4-bromo-3-methylphenyl)-1H-pyrrole-2,4-dicarbonitrile | C13H10BrN5

3,5-Diamino-1-(4-bromo-3-methylphenyl)-1H-pyrrole-2,4-dicarbonitrile

  • Molecular FormulaC13H10BrN5
  • Average mass316.156 Da
  • Monoisotopic mass315.011963 Da
  • ChemSpider ID71280167

More details:

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

1H-Pyrrole-2,4-dicarbonitrile, 3,5-diamino-1-(4-bromo-3-methylphenyl)- [ACD/Index Name]
3,5-Diamino-1-(4-brom-3-methylphenyl)-1H-pyrrol-2,4-dicarbonitril [German] [ACD/IUPAC Name]
3,5-Diamino-1-(4-bromo-3-methylphenyl)-1H-pyrrole-2,4-dicarbonitrile [ACD/IUPAC Name]
3,5-Diamino-1-(4-bromo-3-méthylphényl)-1H-pyrrole-2,4-dicarbonitrile [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: 558.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.7±30.1 °C
Index of Refraction: 1.714
Molar Refractivity: 76.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.07
ACD/KOC (pH 5.5): 368.97
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.07
ACD/KOC (pH 7.4): 368.97
Polar Surface Area: 105 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 61.9±7.0 dyne/cm
Molar Volume: 194.5±7.0 cm3

Click to predict properties on the Chemicalize site


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