ChemSpider 2D Image | 3-Nitro(~2~H)benzoic acid | C7H4DNO4

3-Nitro(2H)benzoic acid

  • Molecular FormulaC7H4DNO4
  • Average mass168.125 Da
  • Monoisotopic mass168.028137 Da
  • ChemSpider ID95749947

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Nitro(2H)benzoesäure [German] [ACD/IUPAC Name]
3-Nitro(2H)benzoic acid [ACD/IUPAC Name]
Acide 3-nitro(2H)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid-d, 3-nitro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 340.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.7±3.0 kJ/mol
Flash Point: 157.5±11.6 °C
Index of Refraction: 1.615
Molar Refractivity: 39.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.47
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 113.8±3.0 cm3

Click to predict properties on the Chemicalize site


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