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Search term: CQRBUCNIAWIELB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3-(4-nitrophenyl)isoxazol-5-yl)methanol | C10H8N2O4

(3-(4-nitrophenyl)isoxazol-5-yl)methanol

  • Molecular FormulaC10H8N2O4
  • Average mass220.182 Da
  • Monoisotopic mass220.048401 Da
  • ChemSpider ID27015262

More details:

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

(3-(4-nitrophenyl)isoxazol-5-yl)methanol
[3-(4-Nitrophenyl)-1,2-oxazol-5-yl]methanol [German] [ACD/IUPAC Name]
[3-(4-Nitrophenyl)-1,2-oxazol-5-yl]methanol [ACD/IUPAC Name]
[3-(4-Nitrophényl)-1,2-oxazol-5-yl]méthanol [French] [ACD/IUPAC Name]
[3-(4-Nitro-phenyl)-isoxazol-5-yl]-methanol
5-Isoxazolemethanol, 3-(4-nitrophenyl)- [ACD/Index Name]
605663-76-1 [RN]
[605663-76-1] [RN]
3-(4-NITRO-PHENYL)-ISOXAZOL-5-YL]-METHANOL
3-(4-Nitro-phenyl)-isoxazol-5-yl-methanol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 447.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.4±3.0 kJ/mol
    Flash Point: 224.7±25.9 °C
    Index of Refraction: 1.610
    Molar Refractivity: 54.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.12
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 3.94
    ACD/KOC (pH 5.5): 92.84
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 3.94
    ACD/KOC (pH 7.4): 92.84
    Polar Surface Area: 92 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 61.4±3.0 dyne/cm
    Molar Volume: 156.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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