ChemSpider 2D Image | 4-[(4-Bromo-2-nitrophenyl)amino]-4-oxobutanoic acid | C10H9BrN2O5

4-[(4-Bromo-2-nitrophenyl)amino]-4-oxobutanoic acid

  • Molecular FormulaC10H9BrN2O5
  • Average mass317.093 Da
  • Monoisotopic mass315.969482 Da
  • ChemSpider ID23646012

More details:

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

4-[(4-Brom-2-nitrophenyl)amino]-4-oxobutansäure [German] [ACD/IUPAC Name]
4-[(4-Bromo-2-nitrophenyl)amino]-4-oxobutanoic acid [ACD/IUPAC Name]
Acide 4-[(4-bromo-2-nitrophényl)amino]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(4-bromo-2-nitrophenyl)amino]-4-oxo- [ACD/Index Name]
3-[(4-BROMO-2-NITROPHENYL)CARBAMOYL]PROPANOIC ACID

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

Density: 1.8±0.1 g/cm3
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 289.9±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.10
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 178.2±3.0 cm3

Click to predict properties on the Chemicalize site


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