ChemSpider 2D Image | 5-[(2R)-3-Benzoyl-2-(4-bromo-2-thienyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid | C22H13BrClNO5S

5-[(2R)-3-Benzoyl-2-(4-bromo-2-thienyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid

  • Molecular FormulaC22H13BrClNO5S
  • Average mass518.764 Da
  • Monoisotopic mass516.938599 Da
  • ChemSpider ID35033528

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-[(2R)-3-Benzoyl-2-(4-brom-2-thienyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorbenzoesäure [German] [ACD/IUPAC Name]
5-[(2R)-3-Benzoyl-2-(4-bromo-2-thienyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid [ACD/IUPAC Name]
5-[(2r)-3-Benzoyl-2-(4-Bromothiophen-2-Yl)-4-Hydroxy-5-Oxo-2,5-Dihydro-1h-Pyrrol-1-Yl]-2-Chlorobenzoic Acid
Acide 5-[(2R)-3-benzoyl-2-(4-bromo-2-thiényl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[(2R)-3-benzoyl-2-(4-bromo-2-thienyl)-2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrol-1-yl]-2-chloro- [ACD/Index Name]
11Y

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

Density: 1.7±0.1 g/cm3
Boiling Point: 680.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.6±31.5 °C
Index of Refraction: 1.736
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 78.6±3.0 dyne/cm
Molar Volume: 298.1±3.0 cm3

Click to predict properties on the Chemicalize site


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