ChemSpider 2D Image | {6-[(2,4-Dichlorobenzyl)oxy]-4-methyl-1-benzothiophen-3-yl}acetic acid | C18H14Cl2O3S

{6-[(2,4-Dichlorobenzyl)oxy]-4-methyl-1-benzothiophen-3-yl}acetic acid

  • Molecular FormulaC18H14Cl2O3S
  • Average mass381.273 Da
  • Monoisotopic mass380.004059 Da
  • ChemSpider ID129217409

More details:

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

{6-[(2,4-Dichlorbenzyl)oxy]-4-methyl-1-benzothiophen-3-yl}essigsäure [German] [ACD/IUPAC Name]
{6-[(2,4-Dichlorobenzyl)oxy]-4-methyl-1-benzothiophen-3-yl}acetic acid [ACD/IUPAC Name]
Acide {6-[(2,4-dichlorobenzyl)oxy]-4-méthyl-1-benzothiophén-3-yl}acétique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-3-acetic acid, 6-[(2,4-dichlorophenyl)methoxy]-4-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 566.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.6±28.7 °C
Index of Refraction: 1.672
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 1304.57
ACD/KOC (pH 5.5): 2495.71
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 22.00
ACD/KOC (pH 7.4): 42.08
Polar Surface Area: 75 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 265.4±3.0 cm3

Click to predict properties on the Chemicalize site


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