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Search term: XAARCECGRZMFSP-HEHNFIMWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[(5-{[(1E)-3,3-Dimethyl-2-oxido-2lambda~5~-1-triazen-1-yl]oxy}-2,4-dinitrophenyl)amino]benzoic acid | C15H14N6O8

4-[(5-{[(1E)-3,3-Dimethyl-2-oxido-2λ5-1-triazen-1-yl]oxy}-2,4-dinitrophenyl)amino]benzoic acid

  • Molecular FormulaC15H14N6O8
  • Average mass406.307 Da
  • Monoisotopic mass406.087311 Da
  • ChemSpider ID23273094

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(5-{[(1E)-3,3-Dimethyl-2-oxido-2λ5-1-triazen-1-yl]oxy}-2,4-dinitrophenyl)amino]benzoesäure [German] [ACD/IUPAC Name]
4-[(5-{[(1E)-3,3-Dimethyl-2-oxido-2λ5-1-triazen-1-yl]oxy}-2,4-dinitrophenyl)amino]benzoic acid [ACD/IUPAC Name]
4-{[5-({[(1E)-2,2-dimethyl-1-oxido-1λ5-diazan-1-ylidene]amino}oxy)-2,4-dinitrophenyl]amino}benzoic acid
Acide 4-[(5-{[(1E)-3,3-diméthyl-2-oxydo-2λ5-1-triazén-1-yl]oxy}-2,4-dinitrophényl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[5-[[[(1E)-(dimethylamino)oxidoazanylidene]amino]oxy]-2,4-dinitrophenyl]amino]- [ACD/Index Name]
4-{[5-({[(1E)-2,2-dimethyl-1-oxidohydrazono]amino}oxy)-2,4-dinitrophenyl]amino}benzoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 600.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 316.8±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 95.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 195 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 72.1±7.0 dyne/cm
Molar Volume: 255.2±7.0 cm3

Click to predict properties on the Chemicalize site


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