ChemSpider 2D Image | Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-5-nitro-1-benzothiophene-2-carboxylate | C15H9ClN2O5S2

Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-5-nitro-1-benzothiophene-2-carboxylate

  • Molecular FormulaC15H9ClN2O5S2
  • Average mass396.825 Da
  • Monoisotopic mass395.964142 Da
  • ChemSpider ID125986936

More details:

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

3-{[(5-Chloro-2-thiényl)carbonyl]amino}-5-nitro-1-benzothiophène-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-[[(5-chloro-2-thienyl)carbonyl]amino]-5-nitro-, methyl ester [ACD/Index Name]
Methyl 3-{[(5-chloro-2-thienyl)carbonyl]amino}-5-nitro-1-benzothiophene-2-carboxylate [ACD/IUPAC Name]
Methyl-3-{[(5-chlor-2-thienyl)carbonyl]amino}-5-nitro-1-benzothiophen-2-carboxylat [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: 517.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 266.8±30.1 °C
Index of Refraction: 1.746
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1120.73
ACD/KOC (pH 5.5): 5301.89
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1119.27
ACD/KOC (pH 7.4): 5294.95
Polar Surface Area: 158 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 243.1±3.0 cm3

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