ChemSpider 2D Image | 2-{[2-({(E)-2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-hydroxyvinyl}oxy)benzoyl]oxy}benzoic acid | C33H24ClNO8

2-{[2-({(E)-2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-hydroxyvinyl}oxy)benzoyl]oxy}benzoic acid

  • Molecular FormulaC33H24ClNO8
  • Average mass597.999 Da
  • Monoisotopic mass597.119019 Da
  • ChemSpider ID95709966

More details:

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

2-{[2-({(E)-2-[1-(4-Chlorbenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-hydroxyvinyl}oxy)benzoyl]oxy}benzoesäure [German] [ACD/IUPAC Name]
2-{[2-({(E)-2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-hydroxyvinyl}oxy)benzoyl]oxy}benzoic acid [ACD/IUPAC Name]
Acide 2-{[2-({(E)-2-[1-(4-chlorobenzoyl)-5-méthoxy-2-méthyl-1H-indol-3-yl]-1-hydroxyvinyl}oxy)benzoyl]oxy}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(E)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-hydroxyethenyl]oxy]-, 2-carboxyphenyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 797.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 435.9±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 158.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 172.60
ACD/KOC (pH 5.5): 278.17
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 32.38
ACD/KOC (pH 7.4): 52.18
Polar Surface Area: 124 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 444.5±7.0 cm3

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