ChemSpider 2D Image | 2-(4-Bromophenoxy)-3-[(1,4-dioxan-2-ylcarbonyl)amino]propanoic acid | C14H16BrNO6

2-(4-Bromophenoxy)-3-[(1,4-dioxan-2-ylcarbonyl)amino]propanoic acid

  • Molecular FormulaC14H16BrNO6
  • Average mass374.184 Da
  • Monoisotopic mass373.016083 Da
  • ChemSpider ID67926018

More details:

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

2-(4-Bromophenoxy)-3-[(1,4-dioxan-2-ylcarbonyl)amino]propanoic acid [ACD/IUPAC Name]
2-(4-Bromphenoxy)-3-[(1,4-dioxan-2-ylcarbonyl)amino]propansäure [German] [ACD/IUPAC Name]
Acide 2-(4-bromophénoxy)-3-[(1,4-dioxan-2-ylcarbonyl)amino]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-(4-bromophenoxy)-3-[(1,4-dioxan-2-ylcarbonyl)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: 615.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.1±31.5 °C
Index of Refraction: 1.570
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 241.2±3.0 cm3

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