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Search term: 78435259 (Found by CSID)
ChemSpider 2D Image | Methyl 6-{2-[(2E)-2-buten-2-yl]-3-chloro-4,6-dihydroxy-5-methylphenoxy}-3-chloro-4-hydroxy-2-methylbenzoate | C20H20Cl2O6

Methyl 6-{2-[(2E)-2-buten-2-yl]-3-chloro-4,6-dihydroxy-5-methylphenoxy}-3-chloro-4-hydroxy-2-methylbenzoate

  • Molecular FormulaC20H20Cl2O6
  • Average mass427.275 Da
  • Monoisotopic mass426.063690 Da
  • ChemSpider ID78435259

  • Double-bond stereo - Double-bond stereo

More details:

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

6-{2-[(2E)-2-Butén-2-yl]-3-chloro-4,6-dihydroxy-5-méthylphénoxy}-3-chloro-4-hydroxy-2-méthylbenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-chloro-6-[3-chloro-4,6-dihydroxy-5-methyl-2-[(1E)-1-methyl-1-propen-1-yl]phenoxy]-4-hydroxy-2-methyl-, methyl ester [ACD/Index Name]
Methyl 6-{2-[(2E)-2-buten-2-yl]-3-chloro-4,6-dihydroxy-5-methylphenoxy}-3-chloro-4-hydroxy-2-methylbenzoate [ACD/IUPAC Name]
Methyl-6-{2-[(2E)-2-buten-2-yl]-3-chlor-4,6-dihydroxy-5-methylphenoxy}-3-chlor-4-hydroxy-2-methylbenzoat [German] [ACD/IUPAC Name]
Aspergillusether D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 556.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 290.1±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 108.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 17840.29
ACD/KOC (pH 5.5): 36529.52
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 1156.09
ACD/KOC (pH 7.4): 2367.19
Polar Surface Area: 96 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 310.5±3.0 cm3

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