ChemSpider 2D Image | (2E)-3-[5-Chloro-1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-4-yl]-N-(2-chlorophenyl)-2-cyanoacrylamide | C21H15Cl2FN4O

(2E)-3-[5-Chloro-1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-4-yl]-N-(2-chlorophenyl)-2-cyanoacrylamide

  • Molecular FormulaC21H15Cl2FN4O
  • Average mass429.274 Da
  • Monoisotopic mass428.060699 Da
  • ChemSpider ID31273917

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[5-Chlor-1-(4-fluorbenzyl)-3-methyl-1H-pyrazol-4-yl]-N-(2-chlorphenyl)-2-cyanacrylamid [German] [ACD/IUPAC Name]
(2E)-3-[5-Chloro-1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-4-yl]-N-(2-chlorophenyl)-2-cyanoacrylamide [ACD/IUPAC Name]
(2E)-3-[5-Chloro-1-(4-fluorobenzyl)-3-méthyl-1H-pyrazol-4-yl]-N-(2-chlorophényl)-2-cyanoacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-1H-pyrazol-4-yl]-N-(2-chlorophenyl)-2-cyano-, (2E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 645.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 343.9±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 113.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2318.97
ACD/KOC (pH 5.5): 8922.11
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2308.09
ACD/KOC (pH 7.4): 8880.24
Polar Surface Area: 71 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 319.9±7.0 cm3

Click to predict properties on the Chemicalize site


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