ChemSpider 2D Image | N'-[(Z)-(2-Chloro-4-fluoro-3-methylphenyl)methylene]-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarbohydrazide | C21H22Cl2FN5O

N'-[(Z)-(2-Chloro-4-fluoro-3-methylphenyl)methylene]-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarbohydrazide

  • Molecular FormulaC21H22Cl2FN5O
  • Average mass450.337 Da
  • Monoisotopic mass449.118530 Da
  • ChemSpider ID99928938

  • Double-bond stereo - Double-bond stereo

More details:

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

N'-[(Z)-(2-Chlor-4-fluor-3-methylphenyl)methylen]-3-(3-chlor-1H-1,2,4-triazol-1-yl)-1-adamantancarbohydrazid [German] [ACD/IUPAC Name]
N'-[(Z)-(2-Chloro-4-fluoro-3-methylphenyl)methylene]-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarbohydrazide [ACD/IUPAC Name]
N'-[(Z)-(2-Chloro-4-fluoro-3-méthylphényl)méthylène]-3-(3-chloro-1H-1,2,4-triazol-1-yl)-1-adamantanecarbohydrazide [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-(3-chloro-1H-1,2,4-triazol-1-yl)-, 2-[(1Z)-(2-chloro-4-fluoro-3-methylphenyl)methylene]hydrazide [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.724
Molar Refractivity: 113.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2793.40
ACD/KOC (pH 5.5): 10193.73
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2793.46
ACD/KOC (pH 7.4): 10193.96
Polar Surface Area: 72 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 286.2±7.0 cm3

Click to predict properties on the Chemicalize site


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