ChemSpider 2D Image | 4-(Difluoromethoxy)-1,2-benzothiazol-3-amine | C8H6F2N2OS

4-(Difluoromethoxy)-1,2-benzothiazol-3-amine

  • Molecular FormulaC8H6F2N2OS
  • Average mass216.208 Da
  • Monoisotopic mass216.016891 Da
  • ChemSpider ID61203129

More details:






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

1,2-Benzisothiazol-3-amine, 4-(difluoromethoxy)- [ACD/Index Name]
4-(Difluormethoxy)-1,2-benzothiazol-3-amin [German] [ACD/IUPAC Name]
4-(Difluoromethoxy)-1,2-benzothiazol-3-amine [ACD/IUPAC Name]
4-(Difluorométhoxy)-1,2-benzothiazol-3-amine [French] [ACD/IUPAC Name]
127952-02-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 260.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.8±3.0 kJ/mol
Flash Point: 111.5±27.3 °C
Index of Refraction: 1.639
Molar Refractivity: 51.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 40.95
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.08
ACD/KOC (pH 7.4): 260.00
Polar Surface Area: 76 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 143.8±3.0 cm3

Click to predict properties on the Chemicalize site






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