ChemSpider 2D Image | 2,6-Dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxido-3H-2,1-benzoxathiol-3-yl]-3-methylphenolate | C21H13Br4O5S

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

  • Molecular FormulaC21H13Br4O5S
  • Average mass697.006 Da
  • Monoisotopic mass692.722229 Da
  • ChemSpider ID95794616

  • Charge - Charge

More details:

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

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

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

Density:
Boiling Point: 626.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 332.4±31.5 °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: 7.80
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 2171.75
ACD/KOC (pH 5.5): 2423.14
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 15.21
Polar Surface Area: 95 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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