ChemSpider 2D Image | [{2-Bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid | C22H18BrF2O4P

[{2-Bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid

  • Molecular FormulaC22H18BrF2O4P
  • Average mass495.250 Da
  • Monoisotopic mass494.009399 Da
  • ChemSpider ID25059118

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[{2-Brom-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluor)methyl]phosphonsäure [German] [ACD/IUPAC Name]
[{2-Bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acid [ACD/IUPAC Name]
Acide [{2-bromo-4-[(2R)-3-oxo-2,3-diphénylpropyl]phényl}(difluoro)méthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl]difluoromethyl]- [ACD/Index Name]
({2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}difluoromethyl)phosphonic acid
{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}difluoromethylphosphonic acid

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

825 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 333.0±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 112.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

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