ChemSpider 2D Image | 2,3,4,5-Tetrachloro-6-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | C20H8Cl4O7

2,3,4,5-Tetrachloro-6-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

  • Molecular FormulaC20H8Cl4O7
  • Average mass502.085 Da
  • Monoisotopic mass499.902405 Da
  • ChemSpider ID257512

More details:

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

2,3,4,5-Tetrachlor-6-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzoesäure [German] [ACD/IUPAC Name]
2,3,4,5-Tetrachloro-6-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid [ACD/IUPAC Name]
Acide 2,3,4,5-tétrachloro-6-(4,5,6-trihydroxy-3-oxo-3H-xanthén-9-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2,3,4,5-tetrachloro-6-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)- [ACD/Index Name]
Tetrachlorogallein

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

AIDS043999 [DBID]
AIDS-043999 [DBID]
NSC157412 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 770.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.822
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 5.06
ACD/KOC (pH 5.5): 14.52
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 2.90
ACD/KOC (pH 7.4): 8.34
Polar Surface Area: 124 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 112.8±5.0 dyne/cm
Molar Volume: 253.8±5.0 cm3

Click to predict properties on the Chemicalize site


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