ChemSpider 2D Image | 3-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl 2-bromobutanoate | C17H15BrN2O4S

3-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl 2-bromobutanoate

  • Molecular FormulaC17H15BrN2O4S
  • Average mass423.281 Da
  • Monoisotopic mass421.993591 Da
  • ChemSpider ID23079637

More details:

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

2-Bromobutanoate de 3-[(1,1-dioxydo-1,2-benzothiazol-3-yl)amino]phényle [French] [ACD/IUPAC Name]
3-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl 2-bromobutanoate [ACD/IUPAC Name]
3-[(1,1-Dioxido-1,2-benzothiazol-3-yl)amino]phenyl-2-brombutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-bromo-, 3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl ester [ACD/Index Name]
[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-bromobutanoate
1192805-64-3 [RN]
2-Bromo-butyric acid 3-(1,1-dioxo-1H-1λ*6*-benzo[d]isothiazol-3-ylamino)-phenyl ester
3-[(1,1-dioxido-1,2-benzisothiazol-3-yl)amino]phenyl 2-bromobutanoate
3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-phenyl 2-bromobutanoate
3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]phenyl 2-bromobutanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 568.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.3±3.0 kJ/mol
    Flash Point: 297.5±32.9 °C
    Index of Refraction: 1.665
    Molar Refractivity: 98.7±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.42
    ACD/LogD (pH 5.5): 2.85
    ACD/BCF (pH 5.5): 85.81
    ACD/KOC (pH 5.5): 842.65
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 85.81
    ACD/KOC (pH 7.4): 842.65
    Polar Surface Area: 93 Å2
    Polarizability: 39.1±0.5 10-24cm3
    Surface Tension: 56.2±7.0 dyne/cm
    Molar Volume: 265.9±7.0 cm3

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