ChemSpider 2D Image | (1R,2S)-3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol | C10H13ClO4

(1R,2S)-3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol

  • Molecular FormulaC10H13ClO4
  • Average mass232.661 Da
  • Monoisotopic mass232.050232 Da
  • ChemSpider ID35800853

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-3-Chlor-1-(4-hydroxy-3-methoxyphenyl)-1,2-propandiol [German] [ACD/IUPAC Name]
(1R,2S)-3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol [ACD/IUPAC Name]
(1R,2S)-3-Chloro-1-(4-hydroxy-3-méthoxyphényl)-1,2-propanediol [French] [ACD/IUPAC Name]
1,2-PROPANEDIOL, 3-CHLORO-1-(4-HYDROXY-3-METHOXYPHENYL)-, (1R,2S)- [ACD/Index Name]
(1R,2S)-3-Chloro-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
832699-72-6 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 462.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 233.4±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.36
ACD/KOC (pH 5.5): 43.38
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 43.26
Polar Surface Area: 70 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 168.7±3.0 cm3

Click to predict properties on the Chemicalize site


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