ChemSpider 2D Image | 5-[2-(Benzyloxy)-5-chlorobenzyl]-3-thiophenecarboxylic acid | C19H15ClO3S

5-[2-(Benzyloxy)-5-chlorobenzyl]-3-thiophenecarboxylic acid

  • Molecular FormulaC19H15ClO3S
  • Average mass358.839 Da
  • Monoisotopic mass358.043030 Da
  • ChemSpider ID25055318

More details:

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

3-Thiophenecarboxylic acid, 5-[[5-chloro-2-(phenylmethoxy)phenyl]methyl]- [ACD/Index Name]
5-[2-(Benzyloxy)-5-chlorbenzyl]-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-[2-(Benzyloxy)-5-chlorobenzyl]-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-[2-(benzyloxy)-5-chlorobenzyl]-3-thiophènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.7±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: 274.7±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 96.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 649.50
ACD/KOC (pH 5.5): 1487.48
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 18.60
ACD/KOC (pH 7.4): 42.61
Polar Surface Area: 75 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 267.5±3.0 cm3

Click to predict properties on the Chemicalize site


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