ChemSpider 2D Image | 6-Bromo-3-{2-[(2E)-2-(2-methoxybenzylidene)hydrazino]-1,3-thiazol-4-yl}-2H-chromen-2-one | C20H14BrN3O3S

6-Bromo-3-{2-[(2E)-2-(2-methoxybenzylidene)hydrazino]-1,3-thiazol-4-yl}-2H-chromen-2-one

  • Molecular FormulaC20H14BrN3O3S
  • Average mass456.313 Da
  • Monoisotopic mass454.993927 Da
  • ChemSpider ID30656772

  • Double-bond stereo - Double-bond stereo

More details:

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

6-Brom-3-{2-[(2E)-2-(2-methoxybenzyliden)hydrazino]-1,3-thiazol-4-yl}-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Bromo-3-{2-[(2E)-2-(2-methoxybenzylidene)hydrazino]-1,3-thiazol-4-yl}-2H-chromen-2-one [ACD/IUPAC Name]
6-Bromo-3-{2-[(2E)-2-(2-méthoxybenzylidène)hydrazino]-1,3-thiazol-4-yl}-2H-chromén-2-one [French] [ACD/IUPAC Name]
Benzaldehyde, 2-methoxy-, 1-[2-[4-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-thiazolyl]hydrazone] [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 652.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.3±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 112.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2908.64
ACD/KOC (pH 5.5): 10489.98
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2911.58
ACD/KOC (pH 7.4): 10500.59
Polar Surface Area: 101 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 291.0±7.0 cm3

Click to predict properties on the Chemicalize site


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