ChemSpider 2D Image | 2-Bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-6-methylphenolate | C21H15Br2O5S

2-Bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-6-methylphenolate

  • Molecular FormulaC21H15Br2O5S
  • Average mass539.214 Da
  • Monoisotopic mass536.901245 Da
  • ChemSpider ID95748163

  • Charge - Charge

More details:

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

2-Brom-4-[3-(3-brom-4-hydroxy-5-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-6-methylphenolat [German] [ACD/IUPAC Name]
2-Bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-6-methylphenolate [ACD/IUPAC Name]
2-Bromo-4-[3-(3-bromo-4-hydroxy-5-méthylphényl)-1,1-dioxydo-3H-2,1-benzoxathiol-3-yl]-6-méthylphénolate [French] [ACD/IUPAC Name]
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 590.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 310.7±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7137.80
ACD/KOC (pH 5.5): 19090.13
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 179.46
ACD/KOC (pH 7.4): 479.98
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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