ChemSpider 2D Image | 3-Amino-2'-(4-bromo-1H-pyrazol-1-yl)-5-methyl-2,4-biphenyldicarbonitrile | C18H12BrN5

3-Amino-2'-(4-bromo-1H-pyrazol-1-yl)-5-methyl-2,4-biphenyldicarbonitrile

  • Molecular FormulaC18H12BrN5
  • Average mass378.225 Da
  • Monoisotopic mass377.027588 Da
  • ChemSpider ID102545040

More details:

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

[1,1'-Biphenyl]-2,4-dicarbonitrile, 3-amino-2'-(4-bromo-1H-pyrazol-1-yl)-5-methyl- [ACD/Index Name]
3-Amino-2'-(4-brom-1H-pyrazol-1-yl)-5-methyl-2,4-biphenyldicarbonitril [German] [ACD/IUPAC Name]
3-Amino-2'-(4-bromo-1H-pyrazol-1-yl)-5-methyl-2,4-biphenyldicarbonitrile [ACD/IUPAC Name]
3-Amino-2'-(4-bromo-1H-pyrazol-1-yl)-5-méthyl-2,4-biphényldicarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 602.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±31.5 °C
Index of Refraction: 1.697
Molar Refractivity: 98.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 362.64
ACD/KOC (pH 5.5): 2364.14
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 362.64
ACD/KOC (pH 7.4): 2364.14
Polar Surface Area: 91 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 254.3±7.0 cm3

Click to predict properties on the Chemicalize site


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