ChemSpider 2D Image | [3-(1H-Tetrazol-1-yl)phenyl][3-(1H-1,2,3-triazol-1-yl)-1-azetidinyl]methanone | C13H12N8O

[3-(1H-Tetrazol-1-yl)phenyl][3-(1H-1,2,3-triazol-1-yl)-1-azetidinyl]methanone

  • Molecular FormulaC13H12N8O
  • Average mass296.287 Da
  • Monoisotopic mass296.113403 Da
  • ChemSpider ID58435345

More details:

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

[3-(1H-Tetrazol-1-yl)phenyl][3-(1H-1,2,3-triazol-1-yl)-1-azetidinyl]methanon [German] [ACD/IUPAC Name]
[3-(1H-Tetrazol-1-yl)phenyl][3-(1H-1,2,3-triazol-1-yl)-1-azetidinyl]methanone [ACD/IUPAC Name]
[3-(1H-Tétrazol-1-yl)phényl][3-(1H-1,2,3-triazol-1-yl)-1-azétidinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-(1H-tetrazol-1-yl)phenyl][3-(1H-1,2,3-triazol-1-yl)-1-azetidinyl]- [ACD/Index Name]
(3-(1H-1,2,3-triazol-1-yl)azetidin-1-yl)(3-(1H-tetrazol-1-yl)phenyl)methanone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 608.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.6±34.3 °C
Index of Refraction: 1.841
Molar Refractivity: 80.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.95
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.95
Polar Surface Area: 95 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 81.4±7.0 dyne/cm
Molar Volume: 181.1±7.0 cm3

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