ChemSpider 2D Image | 4-[(2E)-2-(3,5-Dinitro-6-oxo-2,4-cyclohexadien-1-ylidene)hydrazino]benzoic acid | C13H8N4O7

4-[(2E)-2-(3,5-Dinitro-6-oxo-2,4-cyclohexadien-1-ylidene)hydrazino]benzoic acid

  • Molecular FormulaC13H8N4O7
  • Average mass332.225 Da
  • Monoisotopic mass332.039307 Da
  • ChemSpider ID35783023
  • Double-bond stereo - Double-bond stereo


More details:






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

4-[(2E)-2-(3,5-Dinitro-6-oxo-2,4-cyclohexadien-1-yliden)hydrazino]benzoesäure [German] [ACD/IUPAC Name]
4-[(2E)-2-(3,5-Dinitro-6-oxo-2,4-cyclohexadien-1-ylidene)hydrazino]benzoic acid [ACD/IUPAC Name]
Acide 4-[(2E)-2-(3,5-dinitro-6-oxo-2,4-cyclohexadién-1-ylidène)hydrazino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(2E)-2-(3,5-dinitro-6-oxo-2,4-cyclohexadien-1-ylidene)hydrazinyl]- [ACD/Index Name]
BENZOIC ACID, 4-[(2-HYDROXY-3,5-DINITROPHENYL)AZO]-

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

Density: 1.7±0.1 g/cm3
Boiling Point: 477.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.7±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: 0.70
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 83.0±7.0 dyne/cm
Molar Volume: 196.9±7.0 cm3

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