ChemSpider 2D Image | 2-(4-Bromophenyl)-5-(3,4-dihydro-2(1H)-isoquinolinyl)-2H-1,2,3-triazole-4-carbonitrile | C18H14BrN5

2-(4-Bromophenyl)-5-(3,4-dihydro-2(1H)-isoquinolinyl)-2H-1,2,3-triazole-4-carbonitrile

  • Molecular FormulaC18H14BrN5
  • Average mass380.241 Da
  • Monoisotopic mass379.043243 Da
  • ChemSpider ID35522310

More details:






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

2-(4-Bromophényl)-5-(3,4-dihydro-2(1H)-isoquinoléinyl)-2H-1,2,3-triazole-4-carbonitrile [French] [ACD/IUPAC Name]
2-(4-Bromophenyl)-5-(3,4-dihydro-2(1H)-isoquinolinyl)-2H-1,2,3-triazole-4-carbonitrile [ACD/IUPAC Name]
2-(4-Bromphenyl)-5-(3,4-dihydro-2(1H)-isochinolinyl)-2H-1,2,3-triazol-4-carbonitril [German] [ACD/IUPAC Name]
2H-1,2,3-Triazole-4-carbonitrile, 2-(4-bromophenyl)-5-(3,4-dihydro-2(1H)-isoquinolinyl)- [ACD/Index Name]
2-(4-Bromo-phenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2H-[1,2,3]triazole-4-carbonitrile
MFCD29065264

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 589.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.1±32.9 °C
Index of Refraction: 1.726
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 633.91
ACD/KOC (pH 5.5): 3526.07
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 633.91
ACD/KOC (pH 7.4): 3526.07
Polar Surface Area: 58 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 248.6±7.0 cm3

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