ChemSpider 2D Image | 1,1'-{[5-(Benzyloxy)-1,3-phenylene]bis(methylene)}bis(1H-benzotriazole) | C27H22N6O

1,1'-{[5-(Benzyloxy)-1,3-phenylene]bis(methylene)}bis(1H-benzotriazole)

  • Molecular FormulaC27H22N6O
  • Average mass446.503 Da
  • Monoisotopic mass446.185516 Da
  • ChemSpider ID21130260

More details:

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

1,1'-{[5-(Benzyloxy)-1,3-phenylen]dimethylen}bis(1H-benzotriazol) [German] [ACD/IUPAC Name]
1,1'-{[5-(Benzyloxy)-1,3-phenylene]bis(methylene)}bis(1H-benzotriazole) [ACD/IUPAC Name]
1,1'-{[5-(Benzyloxy)-1,3-phénylène]diméthylène}bis(1H-benzotriazole) [French] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole, 1,1'-[[5-(phenylmethoxy)-1,3-phenylene]bis(methylene)]bis- [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: 721.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 390.2±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 133.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2934.99
ACD/KOC (pH 5.5): 10560.70
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2935.34
ACD/KOC (pH 7.4): 10561.98
Polar Surface Area: 71 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 342.6±7.0 cm3

Click to predict properties on the Chemicalize site


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