ChemSpider 2D Image | Methyl 2'-(2-hydroxy-6-methylphenyl)-2,4'-bi-1,3-benzoxazole-4-carboxylate | C23H16N2O5

Methyl 2'-(2-hydroxy-6-methylphenyl)-2,4'-bi-1,3-benzoxazole-4-carboxylate

  • Molecular FormulaC23H16N2O5
  • Average mass400.384 Da
  • Monoisotopic mass400.105927 Da
  • ChemSpider ID28286035

More details:

Featured data source
Natural Product Updates

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

[2,4'-Bibenzoxazole]-4-carboxylic acid, 2'-(2-hydroxy-6-methylphenyl)-, methyl ester [ACD/Index Name]
2'-(2-Hydroxy-6-méthylphényl)-2,4'-bi-1,3-benzoxazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2'-(2-hydroxy-6-methylphenyl)-2,4'-bi-1,3-benzoxazole-4-carboxylate [ACD/IUPAC Name]
Methyl-2'-(2-hydroxy-6-methylphenyl)-2,4'-bi-1,3-benzoxazol-4-carboxylat [German] [ACD/IUPAC Name]
nataxazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 554.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 289.0±28.7 °C
Index of Refraction: 1.678
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1877.86
ACD/KOC (pH 5.5): 7665.11
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1523.54
ACD/KOC (pH 7.4): 6218.85
Polar Surface Area: 99 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 292.9±3.0 cm3

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