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ChemSpider 2D Image | 1-(5-Methyl-1,2-oxazol-3-yl)-3-[2-(phenylsulfonyl)ethyl]urea | C13H15N3O4S

1-(5-Methyl-1,2-oxazol-3-yl)-3-[2-(phenylsulfonyl)ethyl]urea

  • Molecular FormulaC13H15N3O4S
  • Average mass309.341 Da
  • Monoisotopic mass309.078339 Da
  • ChemSpider ID26118376

More details:

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

1-(5-Methyl-1,2-oxazol-3-yl)-3-[2-(phenylsulfonyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-(5-Methyl-1,2-oxazol-3-yl)-3-[2-(phenylsulfonyl)ethyl]urea [ACD/IUPAC Name]
1-(5-Méthyl-1,2-oxazol-3-yl)-3-[2-(phénylsulfonyl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N-(5-methyl-3-isoxazolyl)-N'-[2-(phenylsulfonyl)ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 539.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.0±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.73
ACD/KOC (pH 5.5): 71.41
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 71.40
Polar Surface Area: 110 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 226.3±3.0 cm3

Click to predict properties on the Chemicalize site


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