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Search term: NFJVYTZFJNVKBA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-10-tetraphenecarboxylate | C24H19ClO7

Methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-10-tetraphenecarboxylate

  • Molecular FormulaC24H19ClO7
  • Average mass454.857 Da
  • Monoisotopic mass454.081940 Da
  • ChemSpider ID23311524

More details:

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

2-Chloro-9-éthyl-6,8-dihydroxy-1-méthoxy-3-méthyl-7,12-dioxo-7,12-dihydro-10-tétraphènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Benz[a]anthracene-10-carboxylic acid, 2-chloro-9-ethyl-7,12-dihydro-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-, methyl ester [ACD/Index Name]
Methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-10-tetraphenecarboxylate [ACD/IUPAC Name]
Methyl-2-chlor-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydro-10-tetraphencarboxylat [German] [ACD/IUPAC Name]
CHEMBL253120
CHLOROCYCLINONE A
methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydrotetraphene-10-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 713.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 385.2±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 47375.29
ACD/KOC (pH 5.5): 62503.41
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 634.75
ACD/KOC (pH 7.4): 837.44
Polar Surface Area: 110 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 313.0±3.0 cm3

Click to predict properties on the Chemicalize site


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