ChemSpider 2D Image | 2-Acetamido-3-[(4-bromo-6-hydroxy-2,4-cyclohexadien-1-yl)sulfanyl]propanoate | C11H13BrNO4S

2-Acetamido-3-[(4-bromo-6-hydroxy-2,4-cyclohexadien-1-yl)sulfanyl]propanoate

  • Molecular FormulaC11H13BrNO4S
  • Average mass335.195 Da
  • Monoisotopic mass333.975403 Da
  • ChemSpider ID21202457

  • Charge - Charge

More details:

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

2-Acetamido-3-[(4-brom-6-hydroxy-2,4-cyclohexadien-1-yl)sulfanyl]propanoat [German] [ACD/IUPAC Name]
2-Acetamido-3-[(4-bromo-6-hydroxy-2,4-cyclohexadien-1-yl)sulfanyl]propanoate [ACD/IUPAC Name]
2-Acétamido-3-[(4-bromo-6-hydroxy-2,4-cyclohexadién-1-yl)sulfanyl]propanoate [French] [ACD/IUPAC Name]
Cysteine, N-acetyl-S-(4-bromo-6-hydroxy-2,4-cyclohexadien-1-yl)-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 627.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 333.1±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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