ChemSpider 2D Image | 2-[(5R)-3-(4-Chlorophenyl)-5-(2-furyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl 5-bromonicotinate | C21H15BrClN3O4

2-[(5R)-3-(4-Chlorophenyl)-5-(2-furyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl 5-bromonicotinate

  • Molecular FormulaC21H15BrClN3O4
  • Average mass488.719 Da
  • Monoisotopic mass486.993439 Da
  • ChemSpider ID62612940

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(5R)-3-(4-Chlorophenyl)-5-(2-furyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl 5-bromonicotinate [ACD/IUPAC Name]
2-[(5R)-3-(4-Chlorphenyl)-5-(2-furyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl-5-bromnicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 5-bromo-, 2-[(5R)-3-(4-chlorophenyl)-5-(2-furanyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl ester [ACD/Index Name]
5-Bromonicotinate de 2-[(5R)-3-(4-chlorophényl)-5-(2-furyl)-2,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyle [French] [ACD/IUPAC 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: 615.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.0±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 112.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 887.33
ACD/KOC (pH 5.5): 4485.77
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 887.34
ACD/KOC (pH 7.4): 4485.84
Polar Surface Area: 85 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

Click to predict properties on the Chemicalize site


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