ChemSpider 2D Image | Methyl 4-{[(6-bromo-4-oxo-4H-chromen-2-yl)carbonyl]amino}-2-hydroxybenzoate | C18H12BrNO6

Methyl 4-{[(6-bromo-4-oxo-4H-chromen-2-yl)carbonyl]amino}-2-hydroxybenzoate

  • Molecular FormulaC18H12BrNO6
  • Average mass418.195 Da
  • Monoisotopic mass416.984802 Da
  • ChemSpider ID67742452

More details:

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

4-{[(6-Bromo-4-oxo-4H-chromén-2-yl)carbonyl]amino}-2-hydroxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(6-bromo-4-oxo-4H-1-benzopyran-2-yl)carbonyl]amino]-2-hydroxy-, methyl ester [ACD/Index Name]
Methyl 4-{[(6-bromo-4-oxo-4H-chromen-2-yl)carbonyl]amino}-2-hydroxybenzoate [ACD/IUPAC Name]
Methyl-4-{[(6-brom-4-oxo-4H-chromen-2-yl)carbonyl]amino}salicylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 596.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 314.7±30.1 °C
Index of Refraction: 1.697
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 374.87
ACD/KOC (pH 5.5): 2420.89
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 372.09
ACD/KOC (pH 7.4): 2402.93
Polar Surface Area: 102 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 246.2±3.0 cm3

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