ChemSpider 2D Image | IPO-33 | C20H22N2O

IPO-33

  • Molecular FormulaC20H22N2O
  • Average mass306.401 Da
  • Monoisotopic mass306.173218 Da
  • ChemSpider ID52085250

More details:






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

1-(1-Pentyl-1H-indazol-3-yl)-2-phenylethanon [German] [ACD/IUPAC Name]
1-(1-Pentyl-1H-indazol-3-yl)-2-phenylethanone [ACD/IUPAC Name]
1-(1-Pentyl-1H-indazol-3-yl)-2-phényléthanone [French] [ACD/IUPAC Name]
B28E40SX3V
Ethanone, 1-(1-pentyl-1H-indazol-3-yl)-2-phenyl- [ACD/Index Name]
IPO-33
UNII:B28E40SX3V

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.4±21.8 °C
Index of Refraction: 1.590
Molar Refractivity: 94.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7778.95
ACD/KOC (pH 5.5): 21218.35
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7778.95
ACD/KOC (pH 7.4): 21218.38
Polar Surface Area: 35 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 280.9±7.0 cm3

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