Found 38 results

Search term: MF = 'C_{21}H_{16}Br_{2}N_{2}O_{2}S'
ChemSpider 2D Image | 2-[2-(Allyloxy)-3,5-dibromobenzylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one | C21H16Br2N2O2S

2-[2-(Allyloxy)-3,5-dibromobenzylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one

  • Molecular FormulaC21H16Br2N2O2S
  • Average mass520.237 Da
  • Monoisotopic mass517.929932 Da
  • ChemSpider ID2134032

More details:

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

2-[2-(Allyloxy)-3,5-dibrombenzyliden]-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-on [German] [ACD/IUPAC Name]
2-[2-(Allyloxy)-3,5-dibromobenzylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one [ACD/IUPAC Name]
2-[2-(Allyloxy)-3,5-dibromobenzylidène]-6,7-diméthyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one [French] [ACD/IUPAC Name]
Thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-[[3,5-dibromo-2-(2-propen-1-yloxy)phenyl]methylene]-6,7-dimethyl- [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: 644.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.6±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 120.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 113610.63
ACD/KOC (pH 5.5): 144625.05
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 113613.75
ACD/KOC (pH 7.4): 144629.02
Polar Surface Area: 69 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 312.7±7.0 cm3

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