Found 6191 results

Search term: MF = 'C_{12}H_{13}BrN_{2}O'
ChemSpider 2D Image | 7-(3-Bromophenyl)-5,8-diazaspiro[3.4]octan-6-one | C12H13BrN2O

7-(3-Bromophenyl)-5,8-diazaspiro[3.4]octan-6-one

  • Molecular FormulaC12H13BrN2O
  • Average mass281.148 Da
  • Monoisotopic mass280.021118 Da
  • ChemSpider ID26403814

More details:

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

1272755-87-9 [RN]
5,8-Diazaspiro[3.4]octan-6-one, 7-(3-bromophenyl)- [ACD/Index Name]
7-(3-Bromophenyl)-5,8-diazaspiro[3.4]octan-6-one [ACD/IUPAC Name]
7-(3-Bromophényl)-5,8-diazaspiro[3.4]octan-6-one [French] [ACD/IUPAC Name]
7-(3-Bromphenyl)-5,8-diazaspiro[3.4]octan-6-on [German] [ACD/IUPAC Name]
[1272755-87-9] [RN]
4-piperidin-4-ylbenzonitrile
56765-79-8 [RN]
6-(3-bromophenyl)-5,8-diazaspiro[3.4]octan-7-one
MFCD18651748 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 475.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.9±3.0 kJ/mol
    Flash Point: 241.1±28.7 °C
    Index of Refraction: 1.660
    Molar Refractivity: 65.6±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.89
    ACD/LogD (pH 5.5): 1.21
    ACD/BCF (pH 5.5): 4.77
    ACD/KOC (pH 5.5): 104.56
    ACD/LogD (pH 7.4): 1.23
    ACD/BCF (pH 7.4): 5.10
    ACD/KOC (pH 7.4): 111.64
    Polar Surface Area: 41 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 58.9±5.0 dyne/cm
    Molar Volume: 177.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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