ChemSpider 2D Image | {1-(3,4-Dichlorophenyl)-3-[hydroxy(2-{[3-(trifluoromethyl)phenyl]amino}benzoyl)amino]propyl}phosphonic acid | C23H20Cl2F3N2O5P

{1-(3,4-Dichlorophenyl)-3-[hydroxy(2-{[3-(trifluoromethyl)phenyl]amino}benzoyl)amino]propyl}phosphonic acid

  • Molecular FormulaC23H20Cl2F3N2O5P
  • Average mass563.290 Da
  • Monoisotopic mass562.043884 Da
  • ChemSpider ID30819855

More details:

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

{1-(3,4-Dichlorophenyl)-3-[hydroxy(2-{[3-(trifluoromethyl)phenyl]amino}benzoyl)amino]propyl}phosphonic acid [ACD/IUPAC Name]
{1-(3,4-Dichlorphenyl)-3-[hydroxy(2-{[3-(trifluormethyl)phenyl]amino}benzoyl)amino]propyl}phosphonsäure [German] [ACD/IUPAC Name]
Acide {1-(3,4-dichlorophényl)-3-[hydroxy(2-{[3-(trifluorométhyl)phényl]amino}benzoyl)amino]propyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [1-(3,4-dichlorophenyl)-3-[hydroxy[2-[[3-(trifluoromethyl)phenyl]amino]benzoyl]amino]propyl]- [ACD/Index 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: 721.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.3±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 362.8±3.0 cm3

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