ChemSpider 2D Image | 3-(3,5-Dibromo-6-methoxy-2-pyridinyl)propanoic acid | C9H9Br2NO3

3-(3,5-Dibromo-6-methoxy-2-pyridinyl)propanoic acid

  • Molecular FormulaC9H9Br2NO3
  • Average mass338.981 Da
  • Monoisotopic mass336.894897 Da
  • ChemSpider ID25084693

More details:

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

2-Pyridinepropanoic acid, 3,5-dibromo-6-methoxy- [ACD/Index Name]
3-(3,5-Dibrom-6-methoxy-2-pyridinyl)propansäure [German] [ACD/IUPAC Name]
3-(3,5-Dibromo-6-methoxy-2-pyridinyl)propanoic acid [ACD/IUPAC Name]
Acide 3-(3,5-dibromo-6-méthoxy-2-pyridinyl)propanoïque [French] [ACD/IUPAC Name]
1269492-51-4 [RN]
926221-68-3 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 382.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 185.2±26.5 °C
Index of Refraction: 1.595
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 17.90
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 183.0±3.0 cm3

Click to predict properties on the Chemicalize site


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