ChemSpider 2D Image | [3-(Aminomethyl)-5-(2,5-difluorophenyl)-1H-pyrazol-1-yl]acetonitrile | C12H10F2N4

[3-(Aminomethyl)-5-(2,5-difluorophenyl)-1H-pyrazol-1-yl]acetonitrile

  • Molecular FormulaC12H10F2N4
  • Average mass248.231 Da
  • Monoisotopic mass248.087357 Da
  • ChemSpider ID37577674

More details:

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

[3-(Aminomethyl)-5-(2,5-difluorophenyl)-1H-pyrazol-1-yl]acetonitrile [ACD/IUPAC Name]
[3-(Aminométhyl)-5-(2,5-difluorophényl)-1H-pyrazol-1-yl]acétonitrile [French] [ACD/IUPAC Name]
[3-(Aminomethyl)-5-(2,5-difluorphenyl)-1H-pyrazol-1-yl]acetonitril [German] [ACD/IUPAC Name]
1H-Pyrazole-1-acetonitrile, 3-(aminomethyl)-5-(2,5-difluorophenyl)- [ACD/Index 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: 411.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.4±3.0 kJ/mol
Flash Point: 202.5±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 63.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 26.22
Polar Surface Area: 68 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 183.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement