ChemSpider 2D Image | TROX-1 | C22H16ClFN6O

TROX-1

  • Molecular FormulaC22H16ClFN6O
  • Average mass434.853 Da
  • Monoisotopic mass434.105804 Da
  • ChemSpider ID28289927

More details:

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

1141080-15-0 [RN]
2H-Indol-2-one, 5-(3-chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-3-yl)- [ACD/Index Name]
5-(3-Chlor-4-fluorphenyl)-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-3-yl)-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
5-(3-chloro-4-fluorophenyl)-1,3-dihydro-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-5-yl)-2H-Indol-2-one
5-(3-Chloro-4-fluorophenyl)-3-methyl-3-(5-pyrimidinylmethyl)-1-(1H-1,2,4-triazol-3-yl)-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
5-(3-Chloro-4-fluorophényl)-3-méthyl-3-(5-pyrimidinylméthyl)-1-(1H-1,2,4-triazol-3-yl)-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
5-(3-Chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1-(1H-1,2,4-triazol-3-yl)indolin-2-one
TROX-1 [Wiki]
(RS)-TROX-1
[1141080-15-0] [RN]
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 659.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.0±3.0 kJ/mol
    Flash Point: 352.5±34.3 °C
    Index of Refraction: 1.671
    Molar Refractivity: 112.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): 2.50
    ACD/BCF (pH 5.5): 47.00
    ACD/KOC (pH 5.5): 547.49
    ACD/LogD (pH 7.4): 2.50
    ACD/BCF (pH 7.4): 46.91
    ACD/KOC (pH 7.4): 546.46
    Polar Surface Area: 88 Å2
    Polarizability: 44.4±0.5 10-24cm3
    Surface Tension: 70.5±3.0 dyne/cm
    Molar Volume: 299.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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