ChemSpider 2D Image | 8-Butoxy-3-iodopyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide | C13H13IN4O2

8-Butoxy-3-iodopyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide

  • Molecular FormulaC13H13IN4O2
  • Average mass384.172 Da
  • Monoisotopic mass384.008301 Da
  • ChemSpider ID23284308

More details:

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

5-Oxyde de 8-butoxy-3-iodopyrazolo[5,1-c][1,2,4]benzotriazine [French] [ACD/IUPAC Name]
8-Butoxy-3-iodopyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide [ACD/IUPAC Name]
8-Butoxy-3-iodpyrazolo[5,1-c][1,2,4]benzotriazin-5-oxid [German] [ACD/IUPAC Name]
Pyrazolo[5,1-c][1,2,4]benzotriazine, 8-butoxy-3-iodo-, 5-oxide [ACD/Index Name]
3-iodo-8-n-butyloxypyrazolo[5,1-c][1,2,4]benzotriazine5-oxide

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

Density: 1.8±0.1 g/cm3
Boiling Point: 366.0±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 175.1±29.3 °C
Index of Refraction: 1.736
Molar Refractivity: 83.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 251.64
ACD/KOC (pH 5.5): 1793.32
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.91
ACD/KOC (pH 7.4): 1887.89
Polar Surface Area: 65 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 207.9±7.0 cm3

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