ChemSpider 2D Image | 1-[(5S)-3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetone | C12H12FNO3

1-[(5S)-3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetone

  • Molecular FormulaC12H12FNO3
  • Average mass237.227 Da
  • Monoisotopic mass237.080124 Da
  • ChemSpider ID35033698

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(5S)-3-(3-Fluor-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]aceton [German] [ACD/IUPAC Name]
1-[(5S)-3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetone [ACD/IUPAC Name]
1-[(5S)-3-(3-Fluoro-4-hydroxyphényl)-4,5-dihydro-1,2-oxazol-5-yl]acétone [French] [ACD/IUPAC Name]
1-[(5s)-3-(3-Fluoro-4-Hydroxyphenyl)-4,5-Dihydro-1,2-Oxazol-5-Yl]propan-2-One
2-Propanone, 1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-5-isoxazolyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 365.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 174.8±30.7 °C
Index of Refraction: 1.578
Molar Refractivity: 58.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.89
ACD/KOC (pH 5.5): 108.22
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 3.92
ACD/KOC (pH 7.4): 86.86
Polar Surface Area: 59 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 176.6±7.0 cm3

Click to predict properties on the Chemicalize site


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