ChemSpider 2D Image | (2S)-2-(4-Chlorophenoxy)-3-[4-(2-thienyl)phenyl]propanoic acid | C19H15ClO3S

(2S)-2-(4-Chlorophenoxy)-3-[4-(2-thienyl)phenyl]propanoic acid

  • Molecular FormulaC19H15ClO3S
  • Average mass358.839 Da
  • Monoisotopic mass358.043030 Da
  • ChemSpider ID24695488

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Chlorophenoxy)-3-[4-(2-thienyl)phenyl]propanoic acid [ACD/IUPAC Name]
(2S)-2-(4-Chlorphenoxy)-3-[4-(2-thienyl)phenyl]propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-(4-chlorophénoxy)-3-[4-(2-thiényl)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-(4-chlorophenoxy)-4-(2-thienyl)-, (αS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL472451/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.5±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 96.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 10.22
ACD/KOC (pH 5.5): 34.26
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.65
Polar Surface Area: 75 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

Click to predict properties on the Chemicalize site


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