ChemSpider 2D Image | 4,4'-{5-[(3-Chlorophenyl)amino]-1H-pyrazole-3,4-diyl}diphenol | C21H16ClN3O2

4,4'-{5-[(3-Chlorophenyl)amino]-1H-pyrazole-3,4-diyl}diphenol

  • Molecular FormulaC21H16ClN3O2
  • Average mass377.824 Da
  • Monoisotopic mass377.093109 Da
  • ChemSpider ID24808311

More details:

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

4,4'-{5-[(3-Chlorophenyl)amino]-1H-pyrazole-3,4-diyl}diphenol [ACD/IUPAC Name]
4,4'-{5-[(3-Chlorophényl)amino]-1H-pyrazole-3,4-diyl}diphénol [French] [ACD/IUPAC Name]
4,4'-{5-[(3-Chlorphenyl)amino]-1H-pyrazol-3,4-diyl}diphenol [German] [ACD/IUPAC Name]
Phenol, 4,4'-[5-[(3-chlorophenyl)amino]-1H-pyrazole-3,4-diyl]bis- [ACD/Index Name]
Kinome_3697

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 313.1±30.1 °C
Index of Refraction: 1.727
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 974.49
ACD/KOC (pH 5.5): 4781.20
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 921.98
ACD/KOC (pH 7.4): 4523.53
Polar Surface Area: 81 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 266.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement