ChemSpider 2D Image | 2,5-Difluoro-4-methoxy-N-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}aniline | C15H13F2N3OS

2,5-Difluoro-4-methoxy-N-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}aniline

  • Molecular FormulaC15H13F2N3OS
  • Average mass321.345 Da
  • Monoisotopic mass321.074738 Da
  • ChemSpider ID30400174

More details:

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

1H-Pyrazole-4-methanamine, N-(2,5-difluoro-4-methoxyphenyl)-3-(2-thienyl)- [ACD/Index Name]
2,5-Difluor-4-methoxy-N-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}anilin [German] [ACD/IUPAC Name]
2,5-Difluoro-4-methoxy-N-{[3-(2-thienyl)-1H-pyrazol-4-yl]methyl}aniline [ACD/IUPAC Name]
2,5-Difluoro-4-méthoxy-N-{[3-(2-thiényl)-1H-pyrazol-4-yl]méthyl}aniline [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 517.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 266.9±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 434.96
ACD/KOC (pH 5.5): 2691.54
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 435.67
ACD/KOC (pH 7.4): 2695.95
Polar Surface Area: 78 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 228.3±3.0 cm3

Click to predict properties on the Chemicalize site


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