Found 49 results

Search term: MF = 'C_{13}H_{13}Br_{2}NO_{5}'
ChemSpider 2D Image | 3,5-Dibromo-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid | C13H13Br2NO5

3,5-Dibromo-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid

  • Molecular FormulaC13H13Br2NO5
  • Average mass423.054 Da
  • Monoisotopic mass420.916046 Da
  • ChemSpider ID40208991

More details:

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

3,5-Dibrom-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoesäure [German] [ACD/IUPAC Name]
3,5-Dibromo-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid [ACD/IUPAC Name]
Acide 3,5-dibromo-2-[(4-éthoxy-4-oxobutanoyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dibromo-2-[(4-ethoxy-1,4-dioxobutyl)amino]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 552.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 288.2±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 93 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 236.9±3.0 cm3

Click to predict properties on the Chemicalize site


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