ChemSpider 2D Image | 5-Acetyl-2,2-difluoro-1,3-benzodioxole | C9H6F2O3

5-Acetyl-2,2-difluoro-1,3-benzodioxole

  • Molecular FormulaC9H6F2O3
  • Average mass200.139 Da
  • Monoisotopic mass200.028503 Da
  • ChemSpider ID21427249

More details:

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

1-(2,2-Difluor-1,3-benzodioxol-5-yl)ethanon [German] [ACD/IUPAC Name]
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)ethanone [ACD/IUPAC Name]
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)éthanone [French] [ACD/IUPAC Name]
1-(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)ethan-1-one
136593-45-8 [RN]
5-Acetyl-2,2-difluoro-1,3-benzodioxole
Ethanone, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)- [ACD/Index Name]
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)ethan-1-one, 3',4'-(Difluoromethylenedioxy)acetophenone
1-(2,2-Difluoro-1,3-benzodioxol-5-yl)ethan-1-one; 3',4'-(Difluoromethylenedioxy)acetophenone
1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)ETHAN-1-ONE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 245.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 99.1±22.2 °C
Index of Refraction: 1.517
Molar Refractivity: 42.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 29.99
ACD/KOC (pH 5.5): 397.01
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 29.99
ACD/KOC (pH 7.4): 397.01
Polar Surface Area: 36 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 140.3±5.0 cm3

Click to predict properties on the Chemicalize site


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