ChemSpider 2D Image | 1-[2-(3,4-Difluorophenyl)ethoxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazole | C18H18F2N4O4S

1-[2-(3,4-Difluorophenyl)ethoxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazole

  • Molecular FormulaC18H18F2N4O4S
  • Average mass424.422 Da
  • Monoisotopic mass424.101685 Da
  • ChemSpider ID29804635

More details:

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

1-[2-(3,4-Difluorophenyl)ethoxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazole [ACD/IUPAC Name]
1-[2-(3,4-Difluorophényl)éthoxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazole [French] [ACD/IUPAC Name]
1-[2-(3,4-Difluorphenyl)ethoxy]-6-(4-morpholinylsulfonyl)-1H-benzotriazol [German] [ACD/IUPAC Name]
1H-1,2,3-Benzotriazole, 1-[2-(3,4-difluorophenyl)ethoxy]-6-(4-morpholinylsulfonyl)- [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: 596.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.7±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.47
ACD/KOC (pH 5.5): 456.72
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.47
ACD/KOC (pH 7.4): 456.72
Polar Surface Area: 95 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 278.2±7.0 cm3

Click to predict properties on the Chemicalize site


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