ChemSpider 2D Image | 2-(5-Bromo-1-naphthyl)-7-methyl-5-(4H-1,2,4-triazol-4-yl)-1,3-benzoxazole | C20H13BrN4O

2-(5-Bromo-1-naphthyl)-7-methyl-5-(4H-1,2,4-triazol-4-yl)-1,3-benzoxazole

  • Molecular FormulaC20H13BrN4O
  • Average mass405.247 Da
  • Monoisotopic mass404.027252 Da
  • ChemSpider ID32835701

More details:

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

2-(5-Brom-1-naphthyl)-7-methyl-5-(4H-1,2,4-triazol-4-yl)-1,3-benzoxazol [German] [ACD/IUPAC Name]
2-(5-Bromo-1-naphthyl)-7-methyl-5-(4H-1,2,4-triazol-4-yl)-1,3-benzoxazole [ACD/IUPAC Name]
2-(5-Bromo-1-naphtyl)-7-méthyl-5-(4H-1,2,4-triazol-4-yl)-1,3-benzoxazole [French] [ACD/IUPAC Name]
Benzoxazole, 2-(5-bromo-1-naphthalenyl)-7-methyl-5-(4H-1,2,4-triazol-4-yl)- [ACD/Index Name]
2-(5-Bromo-naphthalen-1-yl)-7-methyl-5-[1,2,4]triazol-4-yl-benzooxazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 594.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.5±32.9 °C
Index of Refraction: 1.750
Molar Refractivity: 103.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1398.18
ACD/KOC (pH 5.5): 6210.85
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1398.64
ACD/KOC (pH 7.4): 6212.91
Polar Surface Area: 57 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 255.0±7.0 cm3

Click to predict properties on the Chemicalize site


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