ChemSpider 2D Image | Methyl (4-chloro-5-hydroxy-1,2-oxazol-3-yl)acetate | C6H6ClNO4

Methyl (4-chloro-5-hydroxy-1,2-oxazol-3-yl)acetate

  • Molecular FormulaC6H6ClNO4
  • Average mass191.569 Da
  • Monoisotopic mass190.998535 Da
  • ChemSpider ID45604636

More details:

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

(4-Chloro-5-hydroxy-1,2-oxazol-3-yl)acétate de méthyle [French] [ACD/IUPAC Name]
3-Isoxazoleacetic acid, 4-chloro-5-hydroxy-, methyl ester [ACD/Index Name]
Methyl (4-chloro-5-hydroxy-1,2-oxazol-3-yl)acetate [ACD/IUPAC Name]
Methyl-(4-chlor-5-hydroxy-1,2-oxazol-3-yl)acetat [German] [ACD/IUPAC Name]
1781908-92-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 312.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 142.9±26.5 °C
Index of Refraction: 1.524
Molar Refractivity: 39.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 128.6±3.0 cm3

Click to predict properties on the Chemicalize site


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