ChemSpider 2D Image | 3-[(4-Bromo-2-nitrobenzoyl)amino]butanoic acid | C11H11BrN2O5

3-[(4-Bromo-2-nitrobenzoyl)amino]butanoic acid

  • Molecular FormulaC11H11BrN2O5
  • Average mass331.119 Da
  • Monoisotopic mass329.985138 Da
  • ChemSpider ID53785512

More details:

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

3-[(4-Brom-2-nitrobenzoyl)amino]butansäure [German] [ACD/IUPAC Name]
3-[(4-Bromo-2-nitrobenzoyl)amino]butanoic acid [ACD/IUPAC Name]
Acide 3-[(4-bromo-2-nitrobenzoyl)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-[(4-bromo-2-nitrobenzoyl)amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 503.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 258.3±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 69.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.15
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 202.3±3.0 cm3

Click to predict properties on the Chemicalize site


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