ChemSpider 2D Image | 3-[(3-Amino-1H-1,2,4-triazol-1-yl)carbonyl]-8-fluoro-2H-chromen-2-one | C12H7FN4O3

3-[(3-Amino-1H-1,2,4-triazol-1-yl)carbonyl]-8-fluoro-2H-chromen-2-one

  • Molecular FormulaC12H7FN4O3
  • Average mass274.207 Da
  • Monoisotopic mass274.050232 Da
  • ChemSpider ID32163318

More details:

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

2H-1-Benzopyran-2-one, 3-[(3-amino-1H-1,2,4-triazol-1-yl)carbonyl]-8-fluoro- [ACD/Index Name]
3-[(3-Amino-1H-1,2,4-triazol-1-yl)carbonyl]-8-fluor-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-[(3-Amino-1H-1,2,4-triazol-1-yl)carbonyl]-8-fluoro-2H-chromen-2-one [ACD/IUPAC Name]
3-[(3-Amino-1H-1,2,4-triazol-1-yl)carbonyl]-8-fluoro-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 576.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.5±32.9 °C
Index of Refraction: 1.742
Molar Refractivity: 65.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.64
ACD/KOC (pH 5.5): 69.75
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 69.76
Polar Surface Area: 100 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 69.0±7.0 dyne/cm
Molar Volume: 161.3±7.0 cm3

Click to predict properties on the Chemicalize site


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