ChemSpider 2D Image | 3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-4H-1,2,3-benzothiadiazin-4-one 1,1-dioxide | C15H11BrN2O5S

3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-4H-1,2,3-benzothiadiazin-4-one 1,1-dioxide

  • Molecular FormulaC15H11BrN2O5S
  • Average mass411.227 Da
  • Monoisotopic mass409.957184 Da
  • ChemSpider ID71043035

More details:

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

1,1-Dioxyde de 3-[(6-bromo-1,3-benzodioxol-5-yl)méthyl]-2,3-dihydro-4H-1,2,3-benzothiadiazin-4-one [French] [ACD/IUPAC Name]
3-[(6-Brom-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-4H-1,2,3-benzothiadiazin-4-on-1,1-dioxid [German] [ACD/IUPAC Name]
3-[(6-Bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-4H-1,2,3-benzothiadiazin-4-one 1,1-dioxide [ACD/IUPAC Name]
4H-1,2,3-Benzothiadiazin-4-one, 3-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-, 1,1-dioxide [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 590.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 311.1±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 88.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.77
ACD/KOC (pH 5.5): 364.85
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 14.08
ACD/KOC (pH 7.4): 191.92
Polar Surface Area: 93 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 232.1±3.0 cm3

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