ChemSpider 2D Image | Letrozole Related Compound A | C17H11N5

Letrozole Related Compound A

  • Molecular FormulaC17H11N5
  • Average mass285.303 Da
  • Monoisotopic mass285.101440 Da
  • ChemSpider ID21112713

More details:

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

112809-52-6 [RN]
4,4'-((4H-1,2,4-Triazol-4-yl)methylene)dibenzonitrile
4,4'-(1H-1,3,4-TRIAZOL-1-YLMETHYLENE)DIBENZONITRILE
4,4'-(4H-1,2,4-triazol-4-ylmethanediyl)dibenzonitrile
4,4'-(4H-1,2,4-Triazol-4-ylmethylen)dibenzonitril [German] [ACD/IUPAC Name]
4,4'-(4H-1,2,4-Triazol-4-ylmethylene)bis benzonitrile; (Letrozole Related Compound A )
4,4'-(4H-1,2,4-Triazol-4-ylmethylene)dibenzonitrile [ACD/IUPAC Name]
4,4'-(4H-1,2,4-Triazol-4-ylméthylène)dibenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4,4'-(4H-1,2,4-triazol-4-ylmethylene)bis- [ACD/Index Name]
Letrozole Related Compound A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7VSW8QP34K [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 563.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.7±3.0 kJ/mol
    Flash Point: 294.6±32.9 °C
    Index of Refraction: 1.665
    Molar Refractivity: 87.1±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.52
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 14.05
    ACD/KOC (pH 5.5): 230.73
    ACD/LogD (pH 7.4): 1.81
    ACD/BCF (pH 7.4): 14.07
    ACD/KOC (pH 7.4): 230.95
    Polar Surface Area: 78 Å2
    Polarizability: 34.5±0.5 10-24cm3
    Surface Tension: 53.5±7.0 dyne/cm
    Molar Volume: 234.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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