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Search term: OGZOCCHVNSXEQO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 3,5-dibromo-2-{[3-(2-pyridinylsulfanyl)propanoyl]amino}benzoate | C16H14Br2N2O3S

Methyl 3,5-dibromo-2-{[3-(2-pyridinylsulfanyl)propanoyl]amino}benzoate

  • Molecular FormulaC16H14Br2N2O3S
  • Average mass474.167 Da
  • Monoisotopic mass471.909180 Da
  • ChemSpider ID30818611

More details:

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

3,5-Dibromo-2-{[3-(2-pyridinylsulfanyl)propanoyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dibromo-2-[[1-oxo-3-(2-pyridinylthio)propyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3,5-dibromo-2-{[3-(2-pyridinylsulfanyl)propanoyl]amino}benzoate [ACD/IUPAC Name]
Methyl-3,5-dibrom-2-{[3-(2-pyridinylsulfanyl)propanoyl]amino}benzoat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 602.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 318.0±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1134.98
ACD/KOC (pH 5.5): 5347.09
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1137.14
ACD/KOC (pH 7.4): 5357.27
Polar Surface Area: 94 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 272.0±5.0 cm3

Click to predict properties on the Chemicalize site


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