ChemSpider 2D Image | 2-Bromo-N'-{(2Z)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-2-propenoyl}-4-fluorobenzohydrazide | C22H24BrFN4O2

2-Bromo-N'-{(2Z)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-2-propenoyl}-4-fluorobenzohydrazide

  • Molecular FormulaC22H24BrFN4O2
  • Average mass475.354 Da
  • Monoisotopic mass474.106659 Da
  • ChemSpider ID72370154

More details:

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

2-Brom-N'-{(2Z)-2-cyan-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-2-propenoyl}-4-fluorbenzohydrazid [German] [ACD/IUPAC Name]
2-Bromo-N'-{(2Z)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-2-propenoyl}-4-fluorobenzohydrazide [ACD/IUPAC Name]
2-Bromo-N'-{(2Z)-2-cyano-3-[2,5-diméthyl-1-(3-méthylbutyl)-1H-pyrrol-3-yl]-2-propenoyl}-4-fluorobenzohydrazide [French] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-4-fluoro-, 2-[(2Z)-2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-1H-pyrrol-3-yl]-1-oxo-2-propen-1-yl]hydrazide [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: 666.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 357.1±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1088.82
ACD/KOC (pH 5.5): 5191.87
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1006.87
ACD/KOC (pH 7.4): 4801.11
Polar Surface Area: 87 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 353.0±7.0 cm3

Click to predict properties on the Chemicalize site


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