ChemSpider 2D Image | 5-(4-{[4-(5-Carboxy-2-furyl)-2-chlorobenzyl]carbamoyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | C29H18Cl3N3O6

5-(4-{[4-(5-Carboxy-2-furyl)-2-chlorobenzyl]carbamoyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC29H18Cl3N3O6
  • Average mass610.829 Da
  • Monoisotopic mass609.026123 Da
  • ChemSpider ID58966367

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-[4-[[[[4-(5-carboxy-2-furanyl)-2-chlorophenyl]methyl]amino]carbonyl]phenyl]-1-(3,4-dichlorophenyl)- [ACD/Index Name]
5-(4-{[4-(5-Carboxy-2-furyl)-2-chlorbenzyl]carbamoyl}phenyl)-1-(3,4-dichlorphenyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(4-{[4-(5-Carboxy-2-furyl)-2-chlorobenzyl]carbamoyl}phenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-(4-{[4-(5-carboxy-2-furyl)-2-chlorobenzyl]carbamoyl}phényl)-1-(3,4-dichlorophényl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 889.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 491.8±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 153.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 6.98
ACD/KOC (pH 5.5): 10.57
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 4.37
ACD/KOC (pH 7.4): 6.62
Polar Surface Area: 135 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 397.0±7.0 cm3

Click to predict properties on the Chemicalize site


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