Found 1 result

Search term: WXPNWDZVBHQEAA-XTQSDGFTSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(Z)-(3-Bromo-4-hydroxy-5-isopropyl-2-methylphenyl)(3-bromo-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate | C27H27Br2O5S

2-[(Z)-(3-Bromo-4-hydroxy-5-isopropyl-2-methylphenyl)(3-bromo-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate

  • Molecular FormulaC27H27Br2O5S
  • Average mass623.374 Da
  • Monoisotopic mass620.995117 Da
  • ChemSpider ID10061095

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-[(Z)-(3-Brom-4-hydroxy-5-isopropyl-2-methylphenyl)(3-brom-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-yliden)methyl]benzolsulfonat [German] [ACD/IUPAC Name]
2-[(Z)-(3-Bromo-4-hydroxy-5-isopropyl-2-methylphenyl)(3-bromo-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonate [ACD/IUPAC Name]
2-[(Z)-(3-Bromo-4-hydroxy-5-isopropyl-2-méthylphényl)(3-bromo-5-isopropyl-2-méthyl-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]benzènesulfonate [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 2-[(Z)-[3-bromo-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl][3-bromo-2-methyl-5-(1-methylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]methyl]-, ion(1-) [ACD/Index Name]

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

ZINC04261799 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 5.82
ACD/KOC (pH 5.5): 12.44
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 5.37
ACD/KOC (pH 7.4): 11.47
Polar Surface Area: 103 Å2
Polarizability:
Surface Tension:
Molar Volume:

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