ChemSpider 2D Image | Methyl 3-chloro-6-(3,5-dichloro-2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-2-methylbenzoate | C18H17Cl3O6

Methyl 3-chloro-6-(3,5-dichloro-2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-2-methylbenzoate

  • Molecular FormulaC18H17Cl3O6
  • Average mass435.683 Da
  • Monoisotopic mass434.009064 Da
  • ChemSpider ID24673809

More details:

Featured data source
Natural Product Updates

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

3-Chloro-6-(3,5-dichloro-2-hydroxy-4-méthoxy-6-méthylphénoxy)-4-méthoxy-2-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-6-(3,5-dichloro-2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-2-methyl-, methyl ester [ACD/Index Name]
Methyl 3-chloro-6-(3,5-dichloro-2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-2-methylbenzoate [ACD/IUPAC Name]
Methyl-3-chlor-6-(3,5-dichlor-2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-2-methylbenzoat [German] [ACD/IUPAC Name]
buellin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 505.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 259.2±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6542.83
ACD/KOC (pH 5.5): 18218.71
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 774.13
ACD/KOC (pH 7.4): 2155.59
Polar Surface Area: 74 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 312.8±3.0 cm3

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