ChemSpider 2D Image | 3-[(5-Chloro-2-thienyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2(3H)-one | C9H9ClN2O3S

3-[(5-Chloro-2-thienyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2(3H)-one

  • Molecular FormulaC9H9ClN2O3S
  • Average mass260.697 Da
  • Monoisotopic mass260.002228 Da
  • ChemSpider ID30123321

More details:

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

1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-thienyl)methyl]-5-(methoxymethyl)- [ACD/Index Name]
3-[(5-Chlor-2-thienyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2(3H)-on [German] [ACD/IUPAC Name]
3-[(5-Chloro-2-thienyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2(3H)-one [ACD/IUPAC Name]
3-[(5-Chloro-2-thiényl)méthyl]-5-(méthoxyméthyl)-1,3,4-oxadiazol-2(3H)-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 327.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 152.0±30.7 °C
Index of Refraction: 1.651
Molar Refractivity: 61.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.67
ACD/KOC (pH 5.5): 104.88
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.67
ACD/KOC (pH 7.4): 104.88
Polar Surface Area: 79 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 169.2±7.0 cm3

Click to predict properties on the Chemicalize site


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