ChemSpider 2D Image | [4-(2-Pyrrolidinylethynyl)-1H-indazol-6-yl]boronic acid | C13H14BN3O2

[4-(2-Pyrrolidinylethynyl)-1H-indazol-6-yl]boronic acid

  • Molecular FormulaC13H14BN3O2
  • Average mass255.080 Da
  • Monoisotopic mass255.117905 Da
  • ChemSpider ID94563627

More details:

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

[4-(2-Pyrrolidinylethinyl)-1H-indazol-6-yl]borsäure [German] [ACD/IUPAC Name]
[4-(2-Pyrrolidinylethynyl)-1H-indazol-6-yl]boronic acid [ACD/IUPAC Name]
Acide [4-(2-pyrrolidinyléthynyl)-1H-indazol-6-yl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-[2-(2-pyrrolidinyl)ethynyl]-1H-indazol-6-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 578.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 303.6±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.97
Polar Surface Area: 81 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 77.2±5.0 dyne/cm
Molar Volume: 184.3±5.0 cm3

Click to predict properties on the Chemicalize site


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