ChemSpider 2D Image | 2-(2,4-Difluorophenyl)-1-(1H-1,2,3-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol | C13H12F2N6O

2-(2,4-Difluorophenyl)-1-(1H-1,2,3-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol

  • Molecular FormulaC13H12F2N6O
  • Average mass306.271 Da
  • Monoisotopic mass306.104065 Da
  • ChemSpider ID24696131

More details:

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

1H-1,2,3-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-(1H-1,2,4-triazol-1-ylmethyl)- [ACD/Index Name]
2-(2,4-Difluorophenyl)-1-(1H-1,2,3-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol [ACD/IUPAC Name]
2-(2,4-Difluorophényl)-1-(1H-1,2,3-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol [French] [ACD/IUPAC Name]
2-(2,4-Difluorphenyl)-1-(1H-1,2,3-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL471110/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 561.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.5±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 76.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.72
ACD/KOC (pH 5.5): 71.19
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.73
ACD/KOC (pH 7.4): 71.37
Polar Surface Area: 82 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 205.3±7.0 cm3

Click to predict properties on the Chemicalize site


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