ChemSpider 2D Image | FERb 033 | C13H9ClFNO3

FERb 033

  • Molecular FormulaC13H9ClFNO3
  • Average mass281.667 Da
  • Monoisotopic mass281.025513 Da
  • ChemSpider ID24606020
  • Double-bond stereo - Double-bond stereo


More details:






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

[1,1'-Biphenyl]-4-carboxaldehyde, 2-chloro-3'-fluoro-3,4'-dihydroxy-, oxime [ACD/Index Name]
2-Chlor-3'-fluor-4-[(E)-(hydroxyimino)methyl]-3,4'-biphenyldiol [German] [ACD/IUPAC Name]
2-Chloro-3'-fluoro-4-[(E)-(hydroxyimino)methyl]-3,4'-biphenyldiol [ACD/IUPAC Name]
2-Chloro-3'-fluoro-4-[(E)-(hydroxyimino)méthyl]-3,4'-biphényldiol [French] [ACD/IUPAC Name]
2-Chloro-3'-fluoro-4-[(E)-(hydroxyimino)methyl]biphenyl-3,4'-diol [Wiki]
FERb 033 [Wiki]
1111084-78-6 [RN]
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(1E)-(hydroxyimino)methyl]phenol
2-Chloro-3'-fluoro-3,4'-dihydroxy-[1,1-biphenyl]-4-carboxaldehyde oxime
DPN
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Estrogen and Related Receptors Tocris Bioscience 3523
      Nuclear Receptors Tocris Bioscience 3523
      Potent and selective ER? agonist Tocris Bioscience 3523
      Potent and selective ER? receptor agonist (Ki = 7.1 nM, EC50 = 4.8 nM). Displays 62-fold selectivity over ER?. Tocris Bioscience 3523
      Potent and selective ERbeta agonist Tocris Bioscience 3523
      Potent and selective ERbeta receptor agonist (Ki = 7.1 nM, EC50 = 4.8 nM). Displays 62-fold selectivity over ERalpha. Tocris Bioscience 3523

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 410.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 202.2±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 67.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.37
ACD/KOC (pH 5.5): 1624.28
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 78.62
ACD/KOC (pH 7.4): 590.22
Polar Surface Area: 73 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 193.7±7.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form