ChemSpider 2D Image | N-[(Allyloxy)carbonyl]-3-(2,4,5-trichloro-3-thienyl)alanine | C11H10Cl3NO4S

N-[(Allyloxy)carbonyl]-3-(2,4,5-trichloro-3-thienyl)alanine

  • Molecular FormulaC11H10Cl3NO4S
  • Average mass358.625 Da
  • Monoisotopic mass356.939606 Da
  • ChemSpider ID114856924

More details:

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

3-Thiophenepropanoic acid, 2,4,5-trichloro-α-[[(2-propen-1-yloxy)carbonyl]amino]- [ACD/Index Name]
N-[(Allyloxy)carbonyl]-3-(2,4,5-trichlor-3-thienyl)alanin [German] [ACD/IUPAC Name]
N-[(Allyloxy)carbonyl]-3-(2,4,5-trichloro-3-thienyl)alanine [ACD/IUPAC Name]
N-[(Allyloxy)carbonyl]-3-(2,4,5-trichloro-3-thiényl)alanine [French] [ACD/IUPAC 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: 495.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 253.4±28.7 °C
Index of Refraction: 1.592
Molar Refractivity: 78.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.29
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 232.5±3.0 cm3

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