ChemSpider 2D Image | {2-[(3,5-Dimethyl-1,2-oxazol-4-yl)ethynyl]-3-methoxy-4-pyridinyl}boronic acid | C13H13BN2O4

{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)ethynyl]-3-methoxy-4-pyridinyl}boronic acid

  • Molecular FormulaC13H13BN2O4
  • Average mass272.064 Da
  • Monoisotopic mass272.096832 Da
  • ChemSpider ID87495972

More details:

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

{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)ethinyl]-3-methoxy-4-pyridinyl}borsäure [German] [ACD/IUPAC Name]
{2-[(3,5-Dimethyl-1,2-oxazol-4-yl)ethynyl]-3-methoxy-4-pyridinyl}boronic acid [ACD/IUPAC Name]
Acide {2-[(3,5-diméthyl-1,2-oxazol-4-yl)éthynyl]-3-méthoxy-4-pyridinyl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-[2-(3,5-dimethyl-4-isoxazolyl)ethynyl]-3-methoxy-4-pyridinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.4±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 69.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.30
ACD/KOC (pH 5.5): 192.51
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 24.90
Polar Surface Area: 89 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 204.9±5.0 cm3

Click to predict properties on the Chemicalize site


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