Found 6 results

Search term: SMYMJHWAQXWPDB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {[2,4,5-Trichloro(~2~H_2_)phenyl]oxy}acetic acid | C8H3D2Cl3O3

{[2,4,5-Trichloro(2H2)phenyl]oxy}acetic acid

  • Molecular FormulaC8H3D2Cl3O3
  • Average mass257.495 Da
  • Monoisotopic mass255.942978 Da
  • ChemSpider ID34451885

  • Non-standard isotope - Non-standard isotope

More details:

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

{[2,4,5-Trichlor(2H2)phenyl]oxy}essigsäure [German] [ACD/IUPAC Name]
{[2,4,5-Trichloro(2H2)phenyl]oxy}acetic acid [ACD/IUPAC Name]
358731-37-0 [RN]
Acetic acid, 2-[(3,4,6-trichlorophenyl-2,5-d2)oxy]- [ACD/Index Name]
Acide {[2,4,5-trichloro(2H2)phényl]oxy}acétique [French] [ACD/IUPAC Name]
2-(2,4,5-trichloro-3,6-dideuterio-phenoxy)acetic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 376.3±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 181.4±26.5 °C
Index of Refraction: 1.586
Molar Refractivity: 53.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.87
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 160.4±3.0 cm3

Click to predict properties on the Chemicalize site


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