ChemSpider 2D Image | (2E)-2,3-Bis[(5,6-dibromo-6-hydroxy-2,4-cyclohexadien-1-yl)methyl]-2-butenedioate | C18H14Br4O6

(2E)-2,3-Bis[(5,6-dibromo-6-hydroxy-2,4-cyclohexadien-1-yl)methyl]-2-butenedioate

  • Molecular FormulaC18H14Br4O6
  • Average mass645.917 Da
  • Monoisotopic mass641.753479 Da
  • ChemSpider ID20143882
  • Charge - Charge

    Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2,3-Bis[(5,6-dibrom-6-hydroxy-2,4-cyclohexadien-1-yl)methyl]-2-butendioat [German] [ACD/IUPAC Name]
(2E)-2,3-Bis[(5,6-dibromo-6-hydroxy-2,4-cyclohexadien-1-yl)methyl]-2-butenedioate [ACD/IUPAC Name]
(2E)-2,3-Bis[(5,6-dibromo-6-hydroxy-2,4-cyclohexadién-1-yl)méthyl]-2-butènedioate [French] [ACD/IUPAC Name]
(2E)-2,3-Bis[(5,6-dibromo-6-hydroxycyclohexa-2,4-dien-1-yl)methyl]but-2-enedioate
2-Butenedioic acid, 2,3-bis[(5,6-dibromo-6-hydroxy-2,4-cyclohexadien-1-yl)methyl]-, ion(2-), (2E)- [ACD/Index Name]
106044-07-9 [RN]
bis(2,3-dibromosalicyl)fumarate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 752.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.1±6.0 kJ/mol
Flash Point: 408.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 6.15
ACD/KOC (pH 5.5): 27.03
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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