ChemSpider 2D Image | Methyl 3-[(5-chloro-2-nitrobenzoyl)amino]tetrahydro-3-thiophenecarboxylate | C13H13ClN2O5S

Methyl 3-[(5-chloro-2-nitrobenzoyl)amino]tetrahydro-3-thiophenecarboxylate

  • Molecular FormulaC13H13ClN2O5S
  • Average mass344.771 Da
  • Monoisotopic mass344.023376 Da
  • ChemSpider ID65053456

More details:

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

3-[(5-Chloro-2-nitrobenzoyl)amino]tétrahydro-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, 3-[(5-chloro-2-nitrobenzoyl)amino]tetrahydro-, methyl ester [ACD/Index Name]
Methyl 3-[(5-chloro-2-nitrobenzoyl)amino]tetrahydro-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-[(5-chlor-2-nitrobenzoyl)amino]tetrahydro-3-thiophencarboxylat [German] [ACD/IUPAC Name]
METHYL 3-(5-CHLORO-2-NITROBENZAMIDO)THIOLANE-3-CARBOXYLATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 495.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.5±28.7 °C
Index of Refraction: 1.624
Molar Refractivity: 81.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.71
ACD/KOC (pH 5.5): 545.18
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.61
ACD/KOC (pH 7.4): 544.05
Polar Surface Area: 127 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 231.1±5.0 cm3

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