Found 1 result

Search term: MRQKYKRXBVKEBG-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2,4-Bis{[4-(4-chlorophenyl)-1-piperazinyl]methyl}-5-fluorophenol | C28H31Cl2FN4O

2,4-Bis{[4-(4-chlorophenyl)-1-piperazinyl]methyl}-5-fluorophenol

  • Molecular FormulaC28H31Cl2FN4O
  • Average mass529.476 Da
  • Monoisotopic mass528.185913 Da
  • ChemSpider ID23235486

More details:

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

2,4-Bis{[4-(4-chlorophenyl)-1-piperazinyl]methyl}-5-fluorophenol [ACD/IUPAC Name]
2,4-Bis{[4-(4-chlorophényl)-1-pipérazinyl]méthyl}-5-fluorophénol [French] [ACD/IUPAC Name]
2,4-bis{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-5-fluorophenol
2,4-Bis{[4-(4-chlorphenyl)-1-piperazinyl]methyl}-5-fluorphenol [German] [ACD/IUPAC Name]
Phenol, 2,4-bis[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-5-fluoro- [ACD/Index Name]
2,4-Bis-[4-(4-chloro-phenyl)-piperazin-1-ylmethyl]-5-fluoro-phenol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL349055/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 877.07
ACD/KOC (pH 5.5): 2563.01
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5509.96
ACD/KOC (pH 7.4): 16101.36
Polar Surface Area: 33 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 399.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement