ChemSpider 2D Image | [1-(3,4-Dichlorophenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid | C19H19Cl2N4O5P

[1-(3,4-Dichlorophenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid

  • Molecular FormulaC19H19Cl2N4O5P
  • Average mass485.258 Da
  • Monoisotopic mass484.046997 Da
  • ChemSpider ID30819858

More details:

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

[1-(3,4-Dichlorophenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid [ACD/IUPAC Name]
[1-(3,4-Dichlorphenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [1-(3,4-dichlorophényl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylméthyl)benzoyl]amino}propyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [1-(3,4-dichlorophenyl)-3-[hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)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: 776.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.2±35.7 °C
Index of Refraction: 1.680
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 309.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement