ChemSpider 2D Image | 5-[(2-Bromophenyl)sulfanyl]-2-{[(2-bromophenyl)sulfanyl]methoxy}-4-nitrophenol | C19H13Br2NO4S2

5-[(2-Bromophenyl)sulfanyl]-2-{[(2-bromophenyl)sulfanyl]methoxy}-4-nitrophenol

  • Molecular FormulaC19H13Br2NO4S2
  • Average mass543.249 Da
  • Monoisotopic mass540.865234 Da
  • ChemSpider ID8590419

More details:

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

5-[(2-Bromophenyl)sulfanyl]-2-{[(2-bromophenyl)sulfanyl]methoxy}-4-nitrophenol [ACD/IUPAC Name]
5-[(2-Bromophényl)sulfanyl]-2-{[(2-bromophényl)sulfanyl]méthoxy}-4-nitrophénol [French] [ACD/IUPAC Name]
5-[(2-Bromphenyl)sulfanyl]-2-{[(2-bromphenyl)sulfanyl]methoxy}-4-nitrophenol [German] [ACD/IUPAC Name]
Phenol, 5-[(2-bromophenyl)thio]-2-[[(2-bromophenyl)thio]methoxy]-4-nitro- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 629.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 334.3±31.5 °C
Index of Refraction: 1.766
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 6.94
ACD/BCF (pH 5.5): 90652.11
ACD/KOC (pH 5.5): 97130.73
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 2143.75
ACD/KOC (pH 7.4): 2296.96
Polar Surface Area: 126 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 83.9±5.0 dyne/cm
Molar Volume: 293.8±5.0 cm3

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