ChemSpider 2D Image | 1H-Benzotriazol-1-ylmethyl 2-(2-phenylvinyl)-4-quinolinecarboxylate | C25H18N4O2

1H-Benzotriazol-1-ylmethyl 2-(2-phenylvinyl)-4-quinolinecarboxylate

  • Molecular FormulaC25H18N4O2
  • Average mass406.436 Da
  • Monoisotopic mass406.142975 Da
  • ChemSpider ID29791884

More details:

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

1H-Benzotriazol-1-ylmethyl 2-(2-phenylvinyl)-4-quinolinecarboxylate [ACD/IUPAC Name]
1H-Benzotriazol-1-ylmethyl-2-(2-phenylvinyl)-4-chinolincarboxylat [German] [ACD/IUPAC Name]
2-(2-Phénylvinyl)-4-quinoléinecarboxylate de 1H-benzotriazol-1-ylméthyle [French] [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 2-(2-phenylethenyl)-, 1H-1,2,3-benzotriazol-1-ylmethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.2±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 120.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13680.36
ACD/KOC (pH 5.5): 31742.75
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13741.99
ACD/KOC (pH 7.4): 31885.76
Polar Surface Area: 70 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 320.9±7.0 cm3

Click to predict properties on the Chemicalize site


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