ChemSpider 2D Image | (4-{4-[(E)-(5-Chloro-2-hydroxy-3-nitrobenzylidene)amino]phenyl}-1-piperazinyl)(2-furyl)methanone | C22H19ClN4O5

(4-{4-[(E)-(5-Chloro-2-hydroxy-3-nitrobenzylidene)amino]phenyl}-1-piperazinyl)(2-furyl)methanone

  • Molecular FormulaC22H19ClN4O5
  • Average mass454.863 Da
  • Monoisotopic mass454.104401 Da
  • ChemSpider ID21863688
  • Double-bond stereo - Double-bond stereo


More details:






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

(4-{4-[(E)-(5-Chlor-2-hydroxy-3-nitrobenzyliden)amino]phenyl}-1-piperazinyl)(2-furyl)methanon [German] [ACD/IUPAC Name]
(4-{4-[(E)-(5-Chloro-2-hydroxy-3-nitrobenzylidene)amino]phenyl}-1-piperazinyl)(2-furyl)methanone [ACD/IUPAC Name]
(4-{4-[(E)-(5-Chloro-2-hydroxy-3-nitrobenzylidène)amino]phényl}-1-pipérazinyl)(2-furyl)méthanone [French] [ACD/IUPAC Name]
[4-(4-{[(E)-(5-Chloro-2-hydroxy-3-nitrophenyl)methylene]amino}phenyl)piperazin-1-yl](2-furyl)methanone
Methanone, [4-[4-[[(1E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylene]amino]phenyl]-1-piperazinyl]-2-furanyl- [ACD/Index Name]
(4-{4-[(5-Chloro-2-hydroxy-3-nitro-benzylidene)-amino]-phenyl}-piperazin-1-yl)-furan-2-yl-methanone
[4-(4-{[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]amino}phenyl)piperazin-1-yl](furan-2-yl)methanone
4-CHLORO-2-[(1E)-({4-[4-(FURAN-2-CARBONYL)PIPERAZIN-1-YL]PHENYL}IMINO)METHYL]-6-NITROPHENOL

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 118.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 52.66
ACD/KOC (pH 5.5): 280.39
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.80
ACD/KOC (pH 7.4): 9.56
Polar Surface Area: 115 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 314.4±7.0 cm3

Click to predict properties on the Chemicalize site






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