ChemSpider 2D Image | 3-{3-(1-Benzyl-5-phenyl-1H-pyrazol-3-yl)-4-[(3-chlorobenzyl)oxy]phenyl}propanoic acid | C32H27ClN2O3

3-{3-(1-Benzyl-5-phenyl-1H-pyrazol-3-yl)-4-[(3-chlorobenzyl)oxy]phenyl}propanoic acid

  • Molecular FormulaC32H27ClN2O3
  • Average mass523.021 Da
  • Monoisotopic mass522.171021 Da
  • ChemSpider ID68715953

More details:

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

3-{3-(1-Benzyl-5-phenyl-1H-pyrazol-3-yl)-4-[(3-chlorbenzyl)oxy]phenyl}propansäure [German] [ACD/IUPAC Name]
3-{3-(1-Benzyl-5-phenyl-1H-pyrazol-3-yl)-4-[(3-chlorobenzyl)oxy]phenyl}propanoic acid [ACD/IUPAC Name]
Acide 3-{3-(1-benzyl-5-phényl-1H-pyrazol-3-yl)-4-[(3-chlorobenzyl)oxy]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[(3-chlorophenyl)methoxy]-3-[5-phenyl-1-(phenylmethyl)-1H-pyrazol-3-yl]- [ACD/Index Name]
3-[3-(1-BENZYL-5-PHENYL-1H-PYRAZOL-3-YL)-4-[(3-CHLOROPHENYL)METHOXY]PHENYL]PROPANOIC ACID
3-[3-(1-BENZYL-5-PHENYLPYRAZOL-3-YL)-4-[(3-CHLOROPHENYL)METHOXY]PHENYL]PROPANOIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.4±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 152.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 23605.93
ACD/KOC (pH 5.5): 25882.90
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 371.86
ACD/KOC (pH 7.4): 407.73
Polar Surface Area: 64 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 430.3±7.0 cm3

Click to predict properties on the Chemicalize site


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