ChemSpider 2D Image | 7-Bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide | C13H13BrN2O5S

7-Bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

  • Molecular FormulaC13H13BrN2O5S
  • Average mass389.222 Da
  • Monoisotopic mass387.972839 Da
  • ChemSpider ID29799508

More details:

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

1,4-Benzodioxin-6-sulfonamide, 7-bromo-2,3-dihydro-N-[(5-methyl-4-oxazolyl)methyl]- [ACD/Index Name]
7-Brom-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamid [German] [ACD/IUPAC Name]
7-Bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide [ACD/IUPAC Name]
7-Bromo-N-[(5-méthyl-1,3-oxazol-4-yl)méthyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 539.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.1±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 81.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.59
ACD/KOC (pH 5.5): 457.69
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 34.91
ACD/KOC (pH 7.4): 436.68
Polar Surface Area: 99 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 238.1±3.0 cm3

Click to predict properties on the Chemicalize site


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