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Search term: CKAJJHXRKLEUGQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-(2,3,5-Trichloro-6-hydroxyphenyl)propanoic acid | C9H7Cl3O3

3-(2,3,5-Trichloro-6-hydroxyphenyl)propanoic acid

  • Molecular FormulaC9H7Cl3O3
  • Average mass269.509 Da
  • Monoisotopic mass267.946075 Da
  • ChemSpider ID62899518

More details:






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

3-(2,3,5-Trichlor-6-hydroxyphenyl)propansäure [German] [ACD/IUPAC Name]
3-(2,3,5-Trichloro-6-hydroxyphenyl)propanoic acid [ACD/IUPAC Name]
Acide 3-(2,3,5-trichloro-6-hydroxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2,3,5-trichloro-6-hydroxy- [ACD/Index Name]
395545-60-5 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 392.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 191.4±26.5 °C
Index of Refraction: 1.616
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 29.09
ACD/KOC (pH 5.5): 196.53
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.36
Polar Surface Area: 58 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 167.7±3.0 cm3

Click to predict properties on the Chemicalize site






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