ChemSpider 2D Image | {5-[(4-Bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol | C14H16BrNO6

{5-[(4-Bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol

  • Molecular FormulaC14H16BrNO6
  • Average mass374.184 Da
  • Monoisotopic mass373.016083 Da
  • ChemSpider ID22752117

More details:

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

{5-[(4-Brom-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol [German] [ACD/IUPAC Name]
{5-[(4-Bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazol-3-yl}methanol [ACD/IUPAC Name]
{5-[(4-Bromo-6,7-diméthoxy-1,3-benzodioxol-5-yl)méthyl]-4,5-dihydro-1,2-oxazol-3-yl}méthanol [French] [ACD/IUPAC Name]
3-Isoxazolemethanol, 5-[(4-bromo-6,7-dimethoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro- [ACD/Index Name]
[5-(4-Bromo-6,7-dimethoxy-benzo[1,3]dioxol-5-ylmethyl)-4,5-dihydro-isoxazol-3-yl]-methanol
{5-[(4-bromo-6,7-dimethoxy-2H-benzo[3,4-d]1,3-dioxolen-5-yl)methyl]-4,5-dihydroisoxazol-3-yl}methan-1-ol

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

Density: 1.7±0.1 g/cm3
Boiling Point: 447.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 224.7±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 77.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 58.04
ACD/KOC (pH 5.5): 636.94
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 58.04
ACD/KOC (pH 7.4): 636.94
Polar Surface Area: 79 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 217.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement