ChemSpider 2D Image | [2-Bromo-4-(hydroxymethyl)-3-pyridinyl]boronic acid | C6H7BBrNO3

[2-Bromo-4-(hydroxymethyl)-3-pyridinyl]boronic acid

  • Molecular FormulaC6H7BBrNO3
  • Average mass231.840 Da
  • Monoisotopic mass230.970230 Da
  • ChemSpider ID74936835

More details:

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

[2-Brom-4-(hydroxymethyl)-3-pyridinyl]borsäure [German] [ACD/IUPAC Name]
[2-Bromo-4-(hydroxymethyl)-3-pyridinyl]boronic acid [ACD/IUPAC Name]
Acide [2-bromo-4-(hydroxyméthyl)-3-pyridinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-bromo-4-(hydroxymethyl)-3-pyridinyl]- [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: 498.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 255.0±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 45.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.40
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 75.5±5.0 dyne/cm
Molar Volume: 126.8±5.0 cm3

Click to predict properties on the Chemicalize site


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