ChemSpider 2D Image | 2-benzoxazol-4,6,7-d_3_-ol, 5-chloro- | C7HD3ClNO2

2-benzoxazol-4,6,7-d3-ol, 5-chloro-

  • Molecular FormulaC7HD3ClNO2
  • Average mass172.584 Da
  • Monoisotopic mass172.011887 Da
  • ChemSpider ID23935692

  • Non-standard isotope - Non-standard isotope

More details:

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

2(3H)-Benzoxazolone-4,6,7-d3, 5-chloro- [ACD/Index Name]
2-benzoxazol-4,6,7-d3-ol, 5-chloro-
5-Chlor(4,6,7-2H3)-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
5-Chloro(2H3)-1,3-benzoxazol-2-ol
5-Chloro(4,6,7-2H3)-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
5-Chloro(4,6,7-2H3)-1,3-benzoxazol-2(3H)-one [French] [ACD/IUPAC Name]
1185173-60-7 [RN]
5-chloro-2(3h)-benzoxazolone
5-Chloro-2-hydroxybenzoxazole
5-chloro-4,6,7-trideuterio-3H-1,3-benzoxazol-2-one
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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: 336.9±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 157.5±25.7 °C
    Index of Refraction: 1.674
    Molar Refractivity: 41.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.29
    ACD/LogD (pH 5.5): 1.32
    ACD/BCF (pH 5.5): 4.34
    ACD/KOC (pH 5.5): 68.75
    ACD/LogD (pH 7.4): -0.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.36
    Polar Surface Area: 46 Å2
    Polarizability: 16.4±0.5 10-24cm3
    Surface Tension: 63.3±3.0 dyne/cm
    Molar Volume: 109.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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