ChemSpider 2D Image | 1-[(5-Methyl-1,2-oxazol-3-yl)amino]-1-oxo-2-butanyl 2,3,6-trichlorobenzoate | C15H13Cl3N2O4

1-[(5-Methyl-1,2-oxazol-3-yl)amino]-1-oxo-2-butanyl 2,3,6-trichlorobenzoate

  • Molecular FormulaC15H13Cl3N2O4
  • Average mass391.634 Da
  • Monoisotopic mass389.994080 Da
  • ChemSpider ID33024095

More details:

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

1-[(5-Methyl-1,2-oxazol-3-yl)amino]-1-oxo-2-butanyl 2,3,6-trichlorobenzoate [ACD/IUPAC Name]
1-[(5-Methyl-1,2-oxazol-3-yl)amino]-1-oxo-2-butanyl-2,3,6-trichlorbenzoat [German] [ACD/IUPAC Name]
2,3,6-Trichlorobenzoate de 1-[(5-méthyl-1,2-oxazol-3-yl)amino]-1-oxo-2-butanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,3,6-trichloro-, 1-[[(5-methyl-3-isoxazolyl)amino]carbonyl]propyl ester [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: 597.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 315.3±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 729.25
ACD/KOC (pH 5.5): 3898.06
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 729.11
ACD/KOC (pH 7.4): 3897.32
Polar Surface Area: 81 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 266.3±3.0 cm3

Click to predict properties on the Chemicalize site


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