ChemSpider 2D Image | (5S)-5-{[(2,6-Difluorobenzyl)oxy]methyl}-5-methyl-3-(3-methyl-2-thienyl)-4,5-dihydro-1,2-oxazole | C17H17F2NO2S

(5S)-5-{[(2,6-Difluorobenzyl)oxy]methyl}-5-methyl-3-(3-methyl-2-thienyl)-4,5-dihydro-1,2-oxazole

  • Molecular FormulaC17H17F2NO2S
  • Average mass337.384 Da
  • Monoisotopic mass337.094818 Da
  • ChemSpider ID34992349

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-{[(2,6-Difluorbenzyl)oxy]methyl}-5-methyl-3-(3-methyl-2-thienyl)-4,5-dihydro-1,2-oxazol [German] [ACD/IUPAC Name]
(5S)-5-{[(2,6-Difluorobenzyl)oxy]methyl}-5-methyl-3-(3-methyl-2-thienyl)-4,5-dihydro-1,2-oxazole [ACD/IUPAC Name]
(5S)-5-{[(2,6-Difluorobenzyl)oxy]méthyl}-5-méthyl-3-(3-méthyl-2-thiényl)-4,5-dihydro-1,2-oxazole [French] [ACD/IUPAC Name]
Isoxazole, 5-[[(2,6-difluorophenyl)methoxy]methyl]-4,5-dihydro-5-methyl-3-(3-methyl-2-thienyl)-, (5S)- [ACD/Index Name]
403640-27-7 [RN]
methiozolin
UNII-MK1KZ980DK

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

Density: 1.3±0.1 g/cm3
Boiling Point: 402.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 197.4±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 86.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 795.62
ACD/KOC (pH 5.5): 4148.82
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 795.62
ACD/KOC (pH 7.4): 4148.82
Polar Surface Area: 59 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 262.4±7.0 cm3

Click to predict properties on the Chemicalize site


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