ChemSpider 2D Image | [5-Amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl](2-chloro-3-pyridinyl)methanone | C9H5ClF3N5O

[5-Amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl](2-chloro-3-pyridinyl)methanone

  • Molecular FormulaC9H5ClF3N5O
  • Average mass291.617 Da
  • Monoisotopic mass291.013458 Da
  • ChemSpider ID21125882

More details:

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

[5-Amino-3-(trifluormethyl)-1H-1,2,4-triazol-1-yl](2-chlor-3-pyridinyl)methanon [German] [ACD/IUPAC Name]
[5-Amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl](2-chloro-3-pyridinyl)methanone [ACD/IUPAC Name]
[5-Amino-3-(trifluorométhyl)-1H-1,2,4-triazol-1-yl](2-chloro-3-pyridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [5-amino-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl](2-chloro-3-pyridinyl)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 311.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 142.0±30.7 °C
Index of Refraction: 1.652
Molar Refractivity: 59.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.27
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.27
Polar Surface Area: 81 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 162.9±7.0 cm3

Click to predict properties on the Chemicalize site


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