ChemSpider 2D Image | N-[(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]-beta-alanine | C12H13ClF3N3O4

N-[(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]-β-alanine

  • Molecular FormulaC12H13ClF3N3O4
  • Average mass355.698 Da
  • Monoisotopic mass355.054657 Da
  • ChemSpider ID57885484

More details:

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

N-[(2-{[3-Chlor-5-(trifluormethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]-β-alanin [German] [ACD/IUPAC Name]
N-[(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}ethyl)carbamoyl]-β-alanine [ACD/IUPAC Name]
N-[(2-{[3-Chloro-5-(trifluorométhyl)-2-pyridinyl]oxy}éthyl)carbamoyl]-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]amino]carbonyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 543.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.5±30.1 °C
Index of Refraction: 1.509
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.28
ACD/KOC (pH 5.5): 17.86
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 244.0±3.0 cm3

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