ChemSpider 2D Image | 1-[(5R)-5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone | C17H15ClN2O2

1-[(5R)-5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC17H15ClN2O2
  • Average mass314.766 Da
  • Monoisotopic mass314.082214 Da
  • ChemSpider ID30657516

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(5R)-5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
1-[(5R)-5-(4-Chlorophényl)-3-(4-hydroxyphényl)-4,5-dihydro-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
1-[(5R)-5-(4-Chlorphenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-3-(4-hydroxyphenyl)-1H-pyrazol-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 485.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 247.6±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 86.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.56
ACD/KOC (pH 5.5): 1010.21
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.69
ACD/KOC (pH 7.4): 1002.26
Polar Surface Area: 53 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 239.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement