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Search term: YSRCXQKNMICOSB (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-Hydroxy-2-nitro-6-[(E)-(4-nitrophenyl)diazenyl]benzoic acid | C13H8N4O7

3-Hydroxy-2-nitro-6-[(E)-(4-nitrophenyl)diazenyl]benzoic acid

  • Molecular FormulaC13H8N4O7
  • Average mass332.225 Da
  • Monoisotopic mass332.039307 Da
  • ChemSpider ID64952455
  • Double-bond stereo - Double-bond stereo


More details:






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

3-Hydroxy-2-nitro-6-[(E)-(4-nitrophenyl)diazenyl]benzoesäure [German] [ACD/IUPAC Name]
3-Hydroxy-2-nitro-6-[(E)-(4-nitrophenyl)diazenyl]benzoic acid [ACD/IUPAC Name]
Acide 3-hydroxy-2-nitro-6-[(E)-(4-nitrophényl)diazényl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-hydroxy-2-nitro-6-[(E)-2-(4-nitrophenyl)diazenyl]- [ACD/Index Name]
3-HYDROXY-2-NITRO-6-[(E)-2-(4-NITROPHENYL)DIAZEN-1-YL]BENZOIC ACID

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

Density: 1.7±0.1 g/cm3
Boiling Point: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.0±31.5 °C
Index of Refraction: 1.715
Molar Refractivity: 77.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 83.0±7.0 dyne/cm
Molar Volume: 196.9±7.0 cm3

Click to predict properties on the Chemicalize site






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