ChemSpider 2D Image | MFCD01422240 | C14H11N3O4

MFCD01422240

  • Molecular FormulaC14H11N3O4
  • Average mass285.255 Da
  • Monoisotopic mass285.074951 Da
  • ChemSpider ID21474621

More details:

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

108883-90-5 [RN]
2-Methoxy-4-(5-nitro-1H-benzimidazol-2-yl)phenol [German] [ACD/IUPAC Name]
2-Methoxy-4-(5-nitro-1H-benzimidazol-2-yl)phenol [ACD/IUPAC Name]
2-Méthoxy-4-(5-nitro-1H-benzimidazol-2-yl)phénol [French] [ACD/IUPAC Name]
2-methoxy-4-(6-nitro-1H-1,3-benzodiazol-2-yl)phenol
2-METHOXY-4-(6-NITRO-1H-BENZOIMIDAZOL-2-YL)-PHENOL
MFCD01422240
Phenol, 2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)- [ACD/Index Name]
2-methoxy-4-(6-nitro-1H-benzimidazol-2-yl)phenol
2-METHOXY-4-(6-NITRO-1H-BENZO[D]IMIDAZOL-2-YL)PHENOL
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 567.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.3±3.0 kJ/mol
    Flash Point: 296.7±32.9 °C
    Index of Refraction: 1.713
    Molar Refractivity: 76.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.21
    ACD/LogD (pH 5.5): 2.11
    ACD/BCF (pH 5.5): 23.76
    ACD/KOC (pH 5.5): 335.74
    ACD/LogD (pH 7.4): 2.04
    ACD/BCF (pH 7.4): 20.12
    ACD/KOC (pH 7.4): 284.24
    Polar Surface Area: 104 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 71.2±3.0 dyne/cm
    Molar Volume: 194.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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