ChemSpider 2D Image | Methyl 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methoxy]-3-nitrobenzoate | C11H8ClN3O5S

Methyl 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methoxy]-3-nitrobenzoate

  • Molecular FormulaC11H8ClN3O5S
  • Average mass329.716 Da
  • Monoisotopic mass328.987305 Da
  • ChemSpider ID33071829

More details:

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

4-[(5-Chloro-1,2,3-thiadiazol-4-yl)méthoxy]-3-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methoxy]-3-nitro-, methyl ester [ACD/Index Name]
Methyl 4-[(5-chloro-1,2,3-thiadiazol-4-yl)methoxy]-3-nitrobenzoate [ACD/IUPAC Name]
Methyl-4-[(5-chlor-1,2,3-thiadiazol-4-yl)methoxy]-3-nitrobenzoat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 514.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.8±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 75.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.96
ACD/KOC (pH 5.5): 572.12
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.96
ACD/KOC (pH 7.4): 572.12
Polar Surface Area: 135 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 211.7±3.0 cm3

Click to predict properties on the Chemicalize site


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