ChemSpider 2D Image | 3-{6-[(2,6-Dibromo-3,4,5-trimethoxybenzoyl)amino]-3-pyridinyl}propanoic acid | C18H18Br2N2O6

3-{6-[(2,6-Dibromo-3,4,5-trimethoxybenzoyl)amino]-3-pyridinyl}propanoic acid

  • Molecular FormulaC18H18Br2N2O6
  • Average mass518.153 Da
  • Monoisotopic mass515.953125 Da
  • ChemSpider ID120174040

More details:

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

3-{6-[(2,6-Dibrom-3,4,5-trimethoxybenzoyl)amino]-3-pyridinyl}propansäure [German] [ACD/IUPAC Name]
3-{6-[(2,6-Dibromo-3,4,5-trimethoxybenzoyl)amino]-3-pyridinyl}propanoic acid [ACD/IUPAC Name]
3-Pyridinepropanoic acid, 6-[(2,6-dibromo-3,4,5-trimethoxybenzoyl)amino]- [ACD/Index Name]
Acide 3-{6-[(2,6-dibromo-3,4,5-triméthoxybenzoyl)amino]-3-pyridinyl}propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 585.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 307.6±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 5.55
ACD/KOC (pH 5.5): 55.56
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 309.9±3.0 cm3

Click to predict properties on the Chemicalize site


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