ChemSpider 2D Image | [2-(3-Amino-3-oxo-1-propyn-1-yl)-6-(trifluoromethyl)-3-pyridinyl]boronic acid | C9H6BF3N2O3

[2-(3-Amino-3-oxo-1-propyn-1-yl)-6-(trifluoromethyl)-3-pyridinyl]boronic acid

  • Molecular FormulaC9H6BF3N2O3
  • Average mass257.962 Da
  • Monoisotopic mass258.042358 Da
  • ChemSpider ID91326709

More details:

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

[2-(3-Amino-3-oxo-1-propin-1-yl)-6-(trifluormethyl)-3-pyridinyl]borsäure [German] [ACD/IUPAC Name]
[2-(3-Amino-3-oxo-1-propyn-1-yl)-6-(trifluoromethyl)-3-pyridinyl]boronic acid [ACD/IUPAC Name]
Acide [2-(3-amino-3-oxo-1-propyn-1-yl)-6-(trifluorométhyl)-3-pyridinyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-(3-amino-3-oxo-1-propyn-1-yl)-6-(trifluoromethyl)-3-pyridinyl]- [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: 441.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 220.6±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 51.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.46
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.12
Polar Surface Area: 96 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 164.9±5.0 cm3

Click to predict properties on the Chemicalize site


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