ChemSpider 2D Image | 2-[(2,2-Dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen {4-[(trifluoroacetyl)amino]benzyl}phosphonate | C20H21Cl2F3N3O8P

2-[(2,2-Dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen {4-[(trifluoroacetyl)amino]benzyl}phosphonate

  • Molecular FormulaC20H21Cl2F3N3O8P
  • Average mass590.271 Da
  • Monoisotopic mass589.039551 Da
  • ChemSpider ID2612093

More details:






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

2-[(2,2-Dichlor-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl-hydrogen{4-[(trifluoracetyl)amino]benzyl}phosphonat [German] [ACD/IUPAC Name]
2-[(2,2-Dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl hydrogen {4-[(trifluoroacetyl)amino]benzyl}phosphonate [ACD/IUPAC Name]
Hydrogéno{4-[(2,2,2-trifluoroacétyl)amino]benzyl}phosphonate de 2-[(2,2-dichloro-1-hydroxyéthyl)amino]-3-hydroxy-1-(4-nitrophényl)propyle [French] [ACD/IUPAC Name]
Phosphonic acid, P-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]-, mono[2-[(2,2-dichloro-1-hydroxyethyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl] ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 366.8±3.0 cm3

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