ChemSpider 2D Image | 2-Bromo-α,γ-dioxobenzenebutanoic acid | C10H7BrO4

2-Bromo-α,γ-dioxobenzenebutanoic acid

  • Molecular FormulaC10H7BrO4
  • Average mass271.064 Da
  • Monoisotopic mass269.952759 Da
  • ChemSpider ID35033861

More details:






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

2-Bromo-α,γ-dioxobenzenebutanoic acid
4-(2-Bromophenyl)-2,4-dioxobutanoic acid [ACD/IUPAC Name]
4-(2-Bromphenyl)-2,4-dioxobutansäure [German] [ACD/IUPAC Name]
65037-19-6 [RN]
Acide 4-(2-bromophényl)-2,4-dioxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2-bromo-α,γ-dioxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 415.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 205.3±24.6 °C
Index of Refraction: 1.593
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 161.9±3.0 cm3

Click to predict properties on the Chemicalize site






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