ChemSpider 2D Image | (2R)-2-{4-[(5-Iodo-2-thienyl)carbonyl]phenyl}propanoic acid | C14H11IO3S

(2R)-2-{4-[(5-Iodo-2-thienyl)carbonyl]phenyl}propanoic acid

  • Molecular FormulaC14H11IO3S
  • Average mass386.205 Da
  • Monoisotopic mass385.947357 Da
  • ChemSpider ID57643005

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{4-[(5-Iod-2-thienyl)carbonyl]phenyl}propansäure [German] [ACD/IUPAC Name]
(2R)-2-{4-[(5-Iodo-2-thienyl)carbonyl]phenyl}propanoic acid [ACD/IUPAC Name]
Acide (2R)-2-{4-[(5-iodo-2-thiényl)carbonyl]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(5-iodo-2-thienyl)carbonyl]-α-methyl-, (αR)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 507.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.6±30.1 °C
Index of Refraction: 1.665
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 13.59
ACD/KOC (pH 5.5): 85.94
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.57
Polar Surface Area: 83 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 223.8±3.0 cm3

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