ChemSpider 2D Image | 1,3-Thiazol-2-ylmethyl 4,5-dimethoxy-2-nitrobenzoate | C13H12N2O6S

1,3-Thiazol-2-ylmethyl 4,5-dimethoxy-2-nitrobenzoate

  • Molecular FormulaC13H12N2O6S
  • Average mass324.309 Da
  • Monoisotopic mass324.041595 Da
  • ChemSpider ID26118165

More details:

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

1,3-Thiazol-2-ylmethyl 4,5-dimethoxy-2-nitrobenzoate [ACD/IUPAC Name]
1,3-Thiazol-2-ylmethyl-4,5-dimethoxy-2-nitrobenzoat [German] [ACD/IUPAC Name]
4,5-Diméthoxy-2-nitrobenzoate de 1,3-thiazol-2-ylméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4,5-dimethoxy-2-nitro-, 2-thiazolylmethyl ester [ACD/Index 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: 508.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 261.3±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.94
ACD/KOC (pH 5.5): 547.08
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.94
ACD/KOC (pH 7.4): 547.16
Polar Surface Area: 132 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 230.6±3.0 cm3

Click to predict properties on the Chemicalize site


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