ChemSpider 2D Image | N-[4-(2-Bromo-4,5-difluorophenoxy)phenyl]-D-asparagine | C16H13BrF2N2O4

N-[4-(2-Bromo-4,5-difluorophenoxy)phenyl]-D-asparagine

  • Molecular FormulaC16H13BrF2N2O4
  • Average mass415.186 Da
  • Monoisotopic mass414.002655 Da
  • ChemSpider ID62566032

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Ammonio-4-{[4-(2-brom-4,5-difluorphenoxy)phenyl]amino}-4-oxobutanoat [German] [ACD/IUPAC Name]
(2R)-2-Ammonio-4-{[4-(2-bromo-4,5-difluorophenoxy)phenyl]amino}-4-oxobutanoate [ACD/IUPAC Name]
(2R)-2-Ammonio-4-{[4-(2-bromo-4,5-difluorophénoxy)phényl]amino}-4-oxobutanoate [French] [ACD/IUPAC Name]
1-Propanaminium, 3-[[4-(2-bromo-4,5-difluorophenoxy)phenyl]amino]-1-carboxy-3-oxo-, inner salt, (1R)- [ACD/Index Name]
D-Asparagine, N-[4-(2-bromo-4,5-difluorophenoxy)phenyl]- [ACD/Index Name]
N-[4-(2-Brom-4,5-difluorphenoxy)phenyl]-D-asparagin [German] [ACD/IUPAC Name]
N-[4-(2-Bromo-4,5-difluorophenoxy)phenyl]-D-asparagine [ACD/IUPAC Name]
N-[4-(2-Bromo-4,5-difluorophénoxy)phényl]-D-asparagine [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 565.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 295.9±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 249.4±3.0 cm3

Click to predict properties on the Chemicalize site


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