ChemSpider 2D Image | 3-Nitro-5-(4-pyridinyl)benzoic acid | C12H8N2O4

3-Nitro-5-(4-pyridinyl)benzoic acid

  • Molecular FormulaC12H8N2O4
  • Average mass244.203 Da
  • Monoisotopic mass244.048401 Da
  • ChemSpider ID24529382

More details:

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

3-Nitro-5-(4-pyridinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Nitro-5-(4-pyridinyl)benzoic acid [ACD/IUPAC Name]
3-Nitro-5-(pyridin-4-yl)benzoic acid
Acide 3-nitro-5-(4-pyridinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-nitro-5-(4-pyridinyl)- [ACD/Index Name]
1214357-18-2 [RN]
3-Nitro-5-pyridin-4-yl-benzoic acid
MFCD15475995

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

Density: 1.4±0.1 g/cm3
Boiling Point: 468.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 237.0±28.7 °C
Index of Refraction: 1.644
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 172.3±3.0 cm3

Click to predict properties on the Chemicalize site


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