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Search term: XKRWMTQGABKZDX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(3,4-Difluorophenyl){2-[hydroxy(methyl)amino]-2-oxoethoxy}methyl]phosphonic acid | C10H12F2NO6P

[(3,4-Difluorophenyl){2-[hydroxy(methyl)amino]-2-oxoethoxy}methyl]phosphonic acid

  • Molecular FormulaC10H12F2NO6P
  • Average mass311.176 Da
  • Monoisotopic mass311.037018 Da
  • ChemSpider ID28642902

More details:

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

[(3,4-Difluorophenyl){2-[hydroxy(methyl)amino]-2-oxoethoxy}methyl]phosphonic acid [ACD/IUPAC Name]
[(3,4-Difluorphenyl){2-[hydroxy(methyl)amino]-2-oxoethoxy}methyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(3,4-difluorophényl){2-[hydroxy(méthyl)amino]-2-oxoéthoxy}méthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(3,4-difluorophenyl)[2-(hydroxymethylamino)-2-oxoethoxy]methyl]- [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: 508.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 261.0±32.9 °C
Index of Refraction: 1.560
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -4.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 67.1±3.0 dyne/cm
Molar Volume: 191.8±3.0 cm3

Click to predict properties on the Chemicalize site


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