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Search term: Cc1cc(OCCCc2c(sc3ccccc23)C(O)=O)cc(C)c1Cl (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid | C20H19ClO3S

3-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC20H19ClO3S
  • Average mass374.881 Da
  • Monoisotopic mass374.074341 Da
  • ChemSpider ID29396073

More details:

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

3-[3-(4-Chlor-3,5-dimethylphenoxy)propyl]-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
3-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-[3-(4-chloro-3,5-diméthylphénoxy)propyl]-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]- [ACD/Index Name]
19G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 573.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.6±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 104.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 2206.46
ACD/KOC (pH 5.5): 2544.65
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 140.54
ACD/KOC (pH 7.4): 162.08
Polar Surface Area: 75 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 287.8±3.0 cm3

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