ChemSpider 2D Image | 4-{[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]methyl}-2,6-difluorophenol | C13H8ClF2N3OS

4-{[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]methyl}-2,6-difluorophenol

  • Molecular FormulaC13H8ClF2N3OS
  • Average mass327.737 Da
  • Monoisotopic mass327.004456 Da
  • ChemSpider ID35686402

More details:

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

4-{[(5-Chlor-2,1,3-benzothiadiazol-4-yl)amino]methyl}-2,6-difluorphenol [German] [ACD/IUPAC Name]
4-{[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]methyl}-2,6-difluorophenol [ACD/IUPAC Name]
4-{[(5-Chloro-2,1,3-benzothiadiazol-4-yl)amino]méthyl}-2,6-difluorophénol [French] [ACD/IUPAC Name]
Phenol, 4-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]-2,6-difluoro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 443.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 222.3±27.3 °C
Index of Refraction: 1.734
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.26
ACD/KOC (pH 5.5): 1351.62
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 69.14
ACD/KOC (pH 7.4): 558.72
Polar Surface Area: 86 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 198.4±3.0 cm3

Click to predict properties on the Chemicalize site


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