ChemSpider 2D Image | 2-Bromo-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one | C13H10BrNOS

2-Bromo-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one

  • Molecular FormulaC13H10BrNOS
  • Average mass308.194 Da
  • Monoisotopic mass306.966644 Da
  • ChemSpider ID35485218

More details:

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

1387558-83-9 [RN]
2-Brom-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-on [German] [ACD/IUPAC Name]
2-bromo-5-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-one
2-Bromo-5-phenyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one [ACD/IUPAC Name]
2-Bromo-5-phényl-5,6-dihydro-1,3-benzothiazol-7(4H)-one [French] [ACD/IUPAC Name]
7(4H)-Benzothiazolone, 2-bromo-5,6-dihydro-5-phenyl- [ACD/Index Name]
2-bromo-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
2-Bromo-5-phenyl-5,6-dihydro-4H-benzothiazol-7-one
2-Bromo-5-phenyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one
MFCD22378220

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 416.4±24.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±3.0 kJ/mol
    Flash Point: 205.6±22.9 °C
    Index of Refraction: 1.654
    Molar Refractivity: 71.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 1
    ACD/LogP: 5.07
    ACD/LogD (pH 5.5): 3.89
    ACD/BCF (pH 5.5): 535.92
    ACD/KOC (pH 5.5): 3126.74
    ACD/LogD (pH 7.4): 3.89
    ACD/BCF (pH 7.4): 535.92
    ACD/KOC (pH 7.4): 3126.74
    Polar Surface Area: 58 Å2
    Polarizability: 28.5±0.5 10-24cm3
    Surface Tension: 58.3±3.0 dyne/cm
    Molar Volume: 195.8±3.0 cm3

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