ChemSpider 2D Image | 3-{[(6-Bromo-8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acid | C18H12BrNO6

3-{[(6-Bromo-8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acid

  • Molecular FormulaC18H12BrNO6
  • Average mass418.195 Da
  • Monoisotopic mass416.984802 Da
  • ChemSpider ID67730339

More details:

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

3-{[(6-Brom-8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoesäure [German] [ACD/IUPAC Name]
3-{[(6-Bromo-8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 3-{[(6-bromo-8-méthoxy-2-oxo-2H-chromén-3-yl)carbonyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(6-bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]- [ACD/Index 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: 712.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.6±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 8.05
ACD/KOC (pH 5.5): 60.49
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.94
Polar Surface Area: 102 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 246.4±3.0 cm3

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