ChemSpider 2D Image | 1-[5-(4-Chlorophenyl)-4-iodo-3-phenyl-1H-pyrazol-1-yl]ethanone | C17H12ClIN2O

1-[5-(4-Chlorophenyl)-4-iodo-3-phenyl-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC17H12ClIN2O
  • Average mass422.647 Da
  • Monoisotopic mass421.968262 Da
  • ChemSpider ID30658729

More details:

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

1-[5-(4-Chlorophenyl)-4-iodo-3-phenyl-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
1-[5-(4-Chlorophényl)-4-iodo-3-phényl-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
1-[5-(4-Chlorphenyl)-4-iod-3-phenyl-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[5-(4-chlorophenyl)-4-iodo-3-phenyl-1H-pyrazol-1-yl]- [ACD/Index 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: 528.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.6±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4940.01
ACD/KOC (pH 5.5): 15330.76
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4940.01
ACD/KOC (pH 7.4): 15330.76
Polar Surface Area: 35 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 259.6±7.0 cm3

Click to predict properties on the Chemicalize site


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