ChemSpider 2D Image | 2,2'-({2-Hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzyl}imino)diacetic acid | C27H21Br4NO8

2,2'-({2-Hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzyl}imino)diacetic acid

  • Molecular FormulaC27H21Br4NO8
  • Average mass807.073 Da
  • Monoisotopic mass802.800049 Da
  • ChemSpider ID119010

More details:

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

2,2'-({2-Hydroxy-3-methyl-5-[4,5,6,7-tetrabrom-1-(4-hydroxy-3-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzyl}imino)diessigsäure [German] [ACD/IUPAC Name]
2,2'-({2-Hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzyl}imino)diacetic acid [ACD/IUPAC Name]
Acide 2,2'-({2-hydroxy-3-méthyl-5-[4,5,6,7-tétrabromo-1-(4-hydroxy-3-méthylphényl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzyl}imino)diacétique [French] [ACD/IUPAC Name]
Glycine, N-(carboxymethyl)-N-[[2-hydroxy-3-methyl-5-[4,5,6,7-tetrabromo-1,3-dihydro-1-(4-hydroxy-3-methylphenyl)-3-oxo-1-isobenzofuranyl]phenyl]methyl]- [ACD/Index Name]
4,5,6,7-Tetrabromo-2-cresolphthalein-3'-methyliminodiacetic acid
85563-15-1 [RN]
BP-Ida
Glycine, N-(carboxymethyl)-N-((2-hydroxy-3-methyl-5-(4,5,6,7-tetrabromo-1,3-dihydro-1-(4-hydroxy-3-methylphenyl)-3-oxo-1-isobenzofuranyl)phenyl)methyl)-

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

Density: 2.0±0.1 g/cm3
Boiling Point: 876.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.4±3.0 kJ/mol
Flash Point: 483.8±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 158.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 4.95
ACD/KOC (pH 5.5): 11.05
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 3.23
Polar Surface Area: 145 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 77.0±3.0 dyne/cm
Molar Volume: 405.9±3.0 cm3

Click to predict properties on the Chemicalize site


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