ChemSpider 2D Image | (2,4-Difluorophenyl)[1-(1H-1,2,4-triazol-1-yl)cyclopropyl]methanone | C12H9F2N3O

(2,4-Difluorophenyl)[1-(1H-1,2,4-triazol-1-yl)cyclopropyl]methanone

  • Molecular FormulaC12H9F2N3O
  • Average mass249.216 Da
  • Monoisotopic mass249.071365 Da
  • ChemSpider ID30657102

More details:

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

(2,4-Difluorophenyl)[1-(1H-1,2,4-triazol-1-yl)cyclopropyl]methanone [ACD/IUPAC Name]
(2,4-Difluorophényl)[1-(1H-1,2,4-triazol-1-yl)cyclopropyl]méthanone [French] [ACD/IUPAC Name]
(2,4-Difluorphenyl)[1-(1H-1,2,4-triazol-1-yl)cyclopropyl]methanon [German] [ACD/IUPAC Name]
Methanone, (2,4-difluorophenyl)[1-(1H-1,2,4-triazol-1-yl)cyclopropyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 403.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 197.8±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 61.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.66
ACD/KOC (pH 5.5): 87.91
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.69
ACD/KOC (pH 7.4): 88.55
Polar Surface Area: 48 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 169.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement