ChemSpider 2D Image | Ethyl 2,6-bis(2-bromophenyl)-4-hydroxy-5-(phenylsulfanyl)nicotinate | C26H19Br2NO3S

Ethyl 2,6-bis(2-bromophenyl)-4-hydroxy-5-(phenylsulfanyl)nicotinate

  • Molecular FormulaC26H19Br2NO3S
  • Average mass585.307 Da
  • Monoisotopic mass582.945251 Da
  • ChemSpider ID34545004

More details:

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

2,6-Bis(2-bromophényl)-4-hydroxy-5-(phénylsulfanyl)nicotinate d'éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2,6-bis(2-bromophenyl)-4-hydroxy-5-(phenylthio)-, ethyl ester [ACD/Index Name]
Ethyl 2,6-bis(2-bromophenyl)-4-hydroxy-5-(phenylsulfanyl)nicotinate [ACD/IUPAC Name]
Ethyl-2,6-bis(2-bromphenyl)-4-hydroxy-5-(phenylsulfanyl)nicotinat [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: 675.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 362.1±31.5 °C
Index of Refraction: 1.732
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 158722.59
ACD/KOC (pH 5.5): 177627.92
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 19940.15
ACD/KOC (pH 7.4): 22315.21
Polar Surface Area: 85 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 76.4±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

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