ChemSpider 2D Image | 2-(3-Phenyl-2,1-benzoxazol-5-yl)propanoate | C16H12NO3

2-(3-Phenyl-2,1-benzoxazol-5-yl)propanoate

  • Molecular FormulaC16H12NO3
  • Average mass266.272 Da
  • Monoisotopic mass266.082275 Da
  • ChemSpider ID21205171

  • Charge - Charge

More details:

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

2-(3-Phenyl-2,1-benzoxazol-5-yl)propanoat [German] [ACD/IUPAC Name]
2-(3-Phenyl-2,1-benzoxazol-5-yl)propanoate [ACD/IUPAC Name]
2-(3-Phényl-2,1-benzoxazol-5-yl)propanoate [French] [ACD/IUPAC Name]
2,1-Benzisoxazole-5-acetic acid, α-methyl-3-phenyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 486.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.8±24.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 16.46
ACD/KOC (pH 5.5): 128.70
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.03
Polar Surface Area: 66 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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