ChemSpider 2D Image | 3-(Chloromethyl)-5-(methoxymethyl)-1,3,4-oxadiazol-2(3H)-one | C5H7ClN2O3

3-(Chloromethyl)-5-(methoxymethyl)-1,3,4-oxadiazol-2(3H)-one

  • Molecular FormulaC5H7ClN2O3
  • Average mass178.574 Da
  • Monoisotopic mass178.014526 Da
  • ChemSpider ID60744260

More details:

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

1,3,4-Oxadiazol-2(3H)-one, 3-(chloromethyl)-5-(methoxymethyl)- [ACD/Index Name]
1711-91-7 [RN]
3-(Chlormethyl)-5-(methoxymethyl)-1,3,4-oxadiazol-2(3H)-on [German] [ACD/IUPAC Name]
3-(Chloromethyl)-5-(methoxymethyl)-1,3,4-oxadiazol-2(3H)-one [ACD/IUPAC Name]
3-(Chlorométhyl)-5-(méthoxyméthyl)-1,3,4-oxadiazol-2(3H)-one [French] [ACD/IUPAC Name]
MFCD20628013

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

Density: 1.5±0.1 g/cm3
Boiling Point: 195.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.2±3.0 kJ/mol
Flash Point: 72.2±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 38.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.01
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.01
Polar Surface Area: 51 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 118.7±7.0 cm3

Click to predict properties on the Chemicalize site


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