ChemSpider 2D Image | Methyl 4-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-2-hydroxybenzoate | C18H12BrNO6

Methyl 4-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-2-hydroxybenzoate

  • Molecular FormulaC18H12BrNO6
  • Average mass418.195 Da
  • Monoisotopic mass416.984802 Da
  • ChemSpider ID67742332

More details:

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

4-{[(6-Bromo-2-oxo-2H-chromén-3-yl)carbonyl]amino}-2-hydroxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(6-bromo-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-2-hydroxy-, methyl ester [ACD/Index Name]
Methyl 4-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-2-hydroxybenzoate [ACD/IUPAC Name]
Methyl-4-{[(6-brom-2-oxo-2H-chromen-3-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: 650.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 347.0±31.5 °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: 4.55
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 567.89
ACD/KOC (pH 5.5): 3259.04
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 562.08
ACD/KOC (pH 7.4): 3225.67
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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