ChemSpider 2D Image | 2-Bromo-4-cyano-6-nitrobenzoic acid | C8H3BrN2O4

2-Bromo-4-cyano-6-nitrobenzoic acid

  • Molecular FormulaC8H3BrN2O4
  • Average mass271.024 Da
  • Monoisotopic mass269.927612 Da
  • ChemSpider ID57400985

More details:

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

2-Brom-4-cyan-6-nitrobenzoesäure [German] [ACD/IUPAC Name]
2-Bromo-4-cyano-6-nitrobenzoic acid [ACD/IUPAC Name]
Acide 2-bromo-4-cyano-6-nitrobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-bromo-4-cyano-6-nitro- [ACD/Index Name]
1805489-12-6 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 388.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 188.6±27.9 °C
Index of Refraction: 1.680
Molar Refractivity: 51.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 92.6±5.0 dyne/cm
Molar Volume: 135.9±5.0 cm3

Click to predict properties on the Chemicalize site


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