ChemSpider 2D Image | (E)-1-(4-Chloro-3-nitrophenyl)-N-{3-[(2,5-difluorophenoxy)methyl]-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl}methanimine | C18H14ClF2N5O3S

(E)-1-(4-Chloro-3-nitrophenyl)-N-{3-[(2,5-difluorophenoxy)methyl]-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl}methanimine

  • Molecular FormulaC18H14ClF2N5O3S
  • Average mass453.850 Da
  • Monoisotopic mass453.047394 Da
  • ChemSpider ID126356046

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-(4-Chlor-3-nitrophenyl)-N-{3-[(2,5-difluorphenoxy)methyl]-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl}methanimin [German] [ACD/IUPAC Name]
(E)-1-(4-Chloro-3-nitrophenyl)-N-{3-[(2,5-difluorophenoxy)methyl]-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl}methanimine [ACD/IUPAC Name]
(E)-1-(4-Chloro-3-nitrophényl)-N-{3-[(2,5-difluorophénoxy)méthyl]-5-(éthylsulfanyl)-4H-1,2,4-triazol-4-yl}méthanimine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazol-4-amine, N-[(1E)-(4-chloro-3-nitrophenyl)methylene]-3-[(2,5-difluorophenoxy)methyl]-5-(ethylthio)- [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: 627.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.3±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1995.00
ACD/KOC (pH 5.5): 8011.04
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1995.11
ACD/KOC (pH 7.4): 8011.48
Polar Surface Area: 123 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 302.2±7.0 cm3

Click to predict properties on the Chemicalize site


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