ChemSpider 2D Image | 1-{3-Chloro-4-[(2S)-2-hydroxy-3-methoxypropoxy]phenyl}ethanone | C12H15ClO4

1-{3-Chloro-4-[(2S)-2-hydroxy-3-methoxypropoxy]phenyl}ethanone

  • Molecular FormulaC12H15ClO4
  • Average mass258.698 Da
  • Monoisotopic mass258.065887 Da
  • ChemSpider ID35179544

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{3-Chlor-4-[(2S)-2-hydroxy-3-methoxypropoxy]phenyl}ethanon [German] [ACD/IUPAC Name]
1-{3-Chloro-4-[(2S)-2-hydroxy-3-methoxypropoxy]phenyl}ethanone [ACD/IUPAC Name]
1-{3-Chloro-4-[(2S)-2-hydroxy-3-méthoxypropoxy]phényl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-chloro-4-[(2S)-2-hydroxy-3-methoxypropoxy]phenyl]- [ACD/Index Name]
1-{3-CHLORO-4-[(2S)-2-HYDROXY-3-METHOXYPROPOXY]PHENYL}ETHAN-1-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 403.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 197.6±28.7 °C
Index of Refraction: 1.529
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.09
ACD/KOC (pH 5.5): 265.47
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 17.09
ACD/KOC (pH 7.4): 265.47
Polar Surface Area: 56 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 210.7±3.0 cm3

Click to predict properties on the Chemicalize site


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