ChemSpider 2D Image | 1-(4-Bromo-3-chlorophenyl)-2-pyrrolidinone | C10H9BrClNO

1-(4-Bromo-3-chlorophenyl)-2-pyrrolidinone

  • Molecular FormulaC10H9BrClNO
  • Average mass274.542 Da
  • Monoisotopic mass272.955597 Da
  • ChemSpider ID26525696

More details:

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

1-(4-Brom-3-chlorphenyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
1-(4-Bromo-3-chlorophenyl)-2-pyrrolidinone [ACD/IUPAC Name]
1-(4-Bromo-3-chlorophényl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
1-(4-Bromo-3-chlorophenyl)pyrrolidin-2-one
1291487-17-6 [RN]
2-Pyrrolidinone, 1-(4-bromo-3-chlorophenyl)- [ACD/Index Name]
[1291487-17-6] [RN]
MFCD18837619 [MDL number]
OT-1679

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: 1.6±0.1 g/cm3
    Boiling Point: 470.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 238.4±25.9 °C
    Index of Refraction: 1.619
    Molar Refractivity: 59.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.67
    ACD/LogD (pH 5.5): 3.17
    ACD/BCF (pH 5.5): 152.01
    ACD/KOC (pH 5.5): 1268.79
    ACD/LogD (pH 7.4): 3.17
    ACD/BCF (pH 7.4): 152.01
    ACD/KOC (pH 7.4): 1268.79
    Polar Surface Area: 20 Å2
    Polarizability: 23.5±0.5 10-24cm3
    Surface Tension: 52.6±3.0 dyne/cm
    Molar Volume: 168.6±3.0 cm3

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