ChemSpider 2D Image | Methyl 3-{[(2E)-3-(3-chloro-4-fluorophenyl)-2-propenoyl]amino}-2-thiophenecarboxylate | C15H11ClFNO3S

Methyl 3-{[(2E)-3-(3-chloro-4-fluorophenyl)-2-propenoyl]amino}-2-thiophenecarboxylate

  • Molecular FormulaC15H11ClFNO3S
  • Average mass339.769 Da
  • Monoisotopic mass339.013214 Da
  • ChemSpider ID22845427

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Thiophenecarboxylic acid, 3-[[(2E)-3-(3-chloro-4-fluorophenyl)-1-oxo-2-propen-1-yl]amino]-, methyl ester [ACD/Index Name]
3-{[(2E)-3-(3-Chloro-4-fluorophényl)-2-propenoyl]amino}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[(2E)-3-(3-chloro-4-fluorophenyl)-2-propenoyl]amino}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[(2E)-3-(3-chlor-4-fluorphenyl)-2-propenoyl]amino}-2-thiophencarboxylat [German] [ACD/IUPAC Name]
METHYL 3-[(2E)-3-(3-CHLORO-4-FLUOROPHENYL)PROP-2-ENAMIDO]THIOPHENE-2-CARBOXYLATE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 282.3±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 695.96
ACD/KOC (pH 5.5): 3769.84
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 695.94
ACD/KOC (pH 7.4): 3769.73
Polar Surface Area: 84 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 234.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement