ChemSpider 2D Image | 3-Nitro-4-(3-oxo-1-piperazinyl)benzoic acid | C11H11N3O5

3-Nitro-4-(3-oxo-1-piperazinyl)benzoic acid

  • Molecular FormulaC11H11N3O5
  • Average mass265.222 Da
  • Monoisotopic mass265.069885 Da
  • ChemSpider ID24364036

More details:

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

1019359-77-3 [RN]
3-Nitro-4-(3-oxo-1-piperazinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Nitro-4-(3-oxo-1-piperazinyl)benzoic acid [ACD/IUPAC Name]
3-nitro-4-(3-oxopiperazin-1-yl)benzoic acid
Acide 3-nitro-4-(3-oxo-1-pipérazinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-nitro-4-(3-oxo-1-piperazinyl)- [ACD/Index Name]
3-nitro-4-(3-oxo-1-piperazinyl)benzoicacid
MFCD12445745 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 178.6±3.0 cm3

Click to predict properties on the Chemicalize site


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