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Search term: KFXWYQUMOCMVCO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5-Nitro-3-thienyl)methyl 1-benzothiophene-2-carboxylate | C14H9NO4S2

(5-Nitro-3-thienyl)methyl 1-benzothiophene-2-carboxylate

  • Molecular FormulaC14H9NO4S2
  • Average mass319.356 Da
  • Monoisotopic mass318.997284 Da
  • ChemSpider ID33455523

More details:

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

(5-Nitro-3-thienyl)methyl 1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
(5-Nitro-3-thienyl)methyl-1-benzothiophen-2-carboxylat [German] [ACD/IUPAC Name]
1-Benzothiophène-2-carboxylate de (5-nitro-3-thiényl)méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, (5-nitro-3-thienyl)methyl ester [ACD/Index 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: 516.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 266.1±27.3 °C
Index of Refraction: 1.715
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2203.41
ACD/KOC (pH 5.5): 8601.68
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2203.41
ACD/KOC (pH 7.4): 8601.68
Polar Surface Area: 129 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 212.9±3.0 cm3

Click to predict properties on the Chemicalize site


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