Found 259 results

Search term: MF = 'C_{14}H_{9}BClN_{3}O_{2}'
ChemSpider 2D Image | {2-[(3-Amino-6-ethynyl-2-pyrazinyl)ethynyl]-6-chlorophenyl}boronic acid | C14H9BClN3O2

{2-[(3-Amino-6-ethynyl-2-pyrazinyl)ethynyl]-6-chlorophenyl}boronic acid

  • Molecular FormulaC14H9BClN3O2
  • Average mass297.504 Da
  • Monoisotopic mass297.047638 Da
  • ChemSpider ID81823379

More details:

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

{2-[(3-Amino-6-ethinyl-2-pyrazinyl)ethinyl]-6-chlorphenyl}borsäure [German] [ACD/IUPAC Name]
{2-[(3-Amino-6-ethynyl-2-pyrazinyl)ethynyl]-6-chlorophenyl}boronic acid [ACD/IUPAC Name]
Acide {2-[(3-amino-6-éthynyl-2-pyrazinyl)éthynyl]-6-chlorophényl}boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-[2-(3-amino-6-ethynyl-2-pyrazinyl)ethynyl]-6-chlorophenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 607.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.3±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.76
ACD/KOC (pH 5.5): 561.49
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 36.16
ACD/KOC (pH 7.4): 416.41
Polar Surface Area: 92 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 89.4±5.0 dyne/cm
Molar Volume: 200.0±5.0 cm3

Click to predict properties on the Chemicalize site


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