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Search term: AYKFLTDUIZGVBD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(1,1-Dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4H-chromen-4-one | C16H11FN2O4S

3-(1,1-Dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4H-chromen-4-one

  • Molecular FormulaC16H11FN2O4S
  • Average mass346.333 Da
  • Monoisotopic mass346.042358 Da
  • ChemSpider ID30822913

More details:

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

3-(1,1-Dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)-6-fluor-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-(1,1-Dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4H-chromen-4-one [ACD/IUPAC Name]
3-(1,1-Dioxydo-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(3,4-dihydro-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-6-fluoro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 566.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.7±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 83.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.48
ACD/KOC (pH 5.5): 235.62
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.08
ACD/KOC (pH 7.4): 196.62
Polar Surface Area: 93 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 227.9±3.0 cm3

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