ChemSpider 2D Image | Methyl 5-chloro-1-(2-methoxy-2-oxoethyl)-1,2,4-triazolidine-3-carboxylate | C7H12ClN3O4

Methyl 5-chloro-1-(2-methoxy-2-oxoethyl)-1,2,4-triazolidine-3-carboxylate

  • Molecular FormulaC7H12ClN3O4
  • Average mass237.641 Da
  • Monoisotopic mass237.051636 Da
  • ChemSpider ID109691601

More details:

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

1,2,4-Triazolidine-1-acetic acid, 5-chloro-3-(methoxycarbonyl)-, methyl ester [ACD/Index Name]
5-Chloro-1-(2-méthoxy-2-oxoéthyl)-1,2,4-triazolidine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-chloro-1-(2-methoxy-2-oxoethyl)-1,2,4-triazolidine-3-carboxylate [ACD/IUPAC Name]
Methyl-5-chlor-1-(2-methoxy-2-oxoethyl)-1,2,4-triazolidin-3-carboxylat [German] [ACD/IUPAC 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: 323.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.4±30.7 °C
Index of Refraction: 1.534
Molar Refractivity: 52.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.71
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.73
Polar Surface Area: 80 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 167.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement