ChemSpider 2D Image | anastrozole-d12 | C17H7D12N5

anastrozole-d12

  • Molecular FormulaC17H7D12N5
  • Average mass305.440 Da
  • Monoisotopic mass305.239380 Da
  • ChemSpider ID44211174

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzenediacetonitrile, α,α,α',α'-tetra(methyl-d3)-5-(1H-1,2,4-triazol-1-ylmethyl)- [ACD/Index Name]
120512-32-5 [RN]
2,2'-[5-(1H-1,2,4-Triazol-1-ylmethyl)-1,3-phenylen]bis[2-(2H3)methyl(2H3)propannitril] [German] [ACD/IUPAC Name]
2,2'-[5-(1H-1,2,4-Triazol-1-ylmethyl)-1,3-phenylene]bis[2-(2H3)methyl(2H3)propanenitrile] [ACD/IUPAC Name]
2,2'-[5-(1H-1,2,4-Triazol-1-ylméthyl)-1,3-phénylène]bis[2-(2H3)méthyl(2H3)propanenitrile] [French] [ACD/IUPAC Name]
anastrozole-d12
2-[3-(2-cyano-1,1,1,3,3,3-hexadeuteriopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3,3,3-trideuterio-2-(trideuteriomethyl)propanenitrile
Anastrozole-d12

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 469.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 237.9±31.5 °C
    Index of Refraction: 1.580
    Molar Refractivity: 90.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.97
    ACD/LogD (pH 5.5): 2.68
    ACD/BCF (pH 5.5): 64.48
    ACD/KOC (pH 5.5): 686.35
    ACD/LogD (pH 7.4): 2.68
    ACD/BCF (pH 7.4): 64.61
    ACD/KOC (pH 7.4): 687.74
    Polar Surface Area: 78 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 42.2±7.0 dyne/cm
    Molar Volume: 270.3±7.0 cm3

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