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Search term: MTQALLSXLREZEC-SDXDJHTJSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (4Z)-2-Isopropyl-5-methyl-4-{[(3-nitrobenzoyl)oxy]imino}-2,5-cyclohexadien-1-one | C17H16N2O5

(4Z)-2-Isopropyl-5-methyl-4-{[(3-nitrobenzoyl)oxy]imino}-2,5-cyclohexadien-1-one

  • Molecular FormulaC17H16N2O5
  • Average mass328.319 Da
  • Monoisotopic mass328.105927 Da
  • ChemSpider ID21827172
  • Double-bond stereo - Double-bond stereo


More details:






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

(4Z)-2-Isopropyl-5-methyl-4-{[(3-nitrobenzoyl)oxy]imino}-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(4Z)-2-Isopropyl-5-methyl-4-{[(3-nitrobenzoyl)oxy]imino}-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
(4Z)-2-Isopropyl-5-méthyl-4-{[(3-nitrobenzoyl)oxy]imino}-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-, 1-[O-(3-nitrobenzoyl)oxime], (1Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 462.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.6±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 87.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 586.78
ACD/KOC (pH 5.5): 3336.41
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 586.78
ACD/KOC (pH 7.4): 3336.41
Polar Surface Area: 102 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 257.7±7.0 cm3

Click to predict properties on the Chemicalize site






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