ChemSpider 2D Image | MFCD18429352 | C17H12Cl2N4O2

MFCD18429352

  • Molecular FormulaC17H12Cl2N4O2
  • Average mass375.209 Da
  • Monoisotopic mass374.033722 Da
  • ChemSpider ID23976358

More details:

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

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol, 8-chloro-6-(2-chlorophenyl)-4-hydroxy- [ACD/Index Name]
8-Chlor-6-(2-chlorphenyl)-1-(hydroxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol [German] [ACD/IUPAC Name]
8-Chloro-6-(2-chlorophenyl)-1-(hydroxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol [ACD/IUPAC Name]
8-Chloro-6-(2-chlorophényl)-1-(hydroxyméthyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazépin-4-ol [French] [ACD/IUPAC Name]
MFCD18429352
1',4-Dihydroxy Triazolam
1?,4-Dihydroxy triazolam
1-Hydroxymethyl-4-hydroxytriazolam
65686-12-6 [RN]
8-Chloro-6-(2-chlorophenyl)-1-(hydroxymethyl)-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-ol
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 631.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 98.2±3.0 kJ/mol
    Flash Point: 335.9±34.3 °C
    Index of Refraction: 1.760
    Molar Refractivity: 94.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.10
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 10.14
    ACD/KOC (pH 5.5): 182.75
    ACD/LogD (pH 7.4): 1.63
    ACD/BCF (pH 7.4): 10.14
    ACD/KOC (pH 7.4): 182.72
    Polar Surface Area: 84 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 65.1±7.0 dyne/cm
    Molar Volume: 230.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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