ChemSpider 2D Image | (2S)-1-{[2-(Difluoromethoxy)phenyl]amino}-1-oxo-2-propanyl 5-bromonicotinate | C16H13BrF2N2O4

(2S)-1-{[2-(Difluoromethoxy)phenyl]amino}-1-oxo-2-propanyl 5-bromonicotinate

  • Molecular FormulaC16H13BrF2N2O4
  • Average mass415.186 Da
  • Monoisotopic mass414.002655 Da
  • ChemSpider ID62309044

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-{[2-(Difluormethoxy)phenyl]amino}-1-oxo-2-propanyl-5-bromnicotinat [German] [ACD/IUPAC Name]
(2S)-1-{[2-(Difluoromethoxy)phenyl]amino}-1-oxo-2-propanyl 5-bromonicotinate [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 5-bromo-, (1S)-2-[[2-(difluoromethoxy)phenyl]amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]
5-Bromonicotinate de (2S)-1-{[2-(difluorométhoxy)phényl]amino}-1-oxo-2-propanyle [French] [ACD/IUPAC 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: 523.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.6±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 110.28
ACD/KOC (pH 5.5): 1008.39
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 110.28
ACD/KOC (pH 7.4): 1008.37
Polar Surface Area: 78 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 266.4±3.0 cm3

Click to predict properties on the Chemicalize site


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