ChemSpider 2D Image | [2-Chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylethynyl)phenyl]boronic acid | C14H9BClN3O2

[2-Chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylethynyl)phenyl]boronic acid

  • Molecular FormulaC14H9BClN3O2
  • Average mass297.504 Da
  • Monoisotopic mass297.047638 Da
  • ChemSpider ID92887628

More details:

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

[2-Chlor-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylethinyl)phenyl]borsäure [German] [ACD/IUPAC Name]
[2-Chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylethynyl)phenyl]boronic acid [ACD/IUPAC Name]
Acide [2-chloro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yléthynyl)phényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[2-chloro-4-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]phenyl]- [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: 597.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.3±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 77.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.98
ACD/KOC (pH 5.5): 603.44
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 45.13
ACD/KOC (pH 7.4): 504.53
Polar Surface Area: 82 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 90.7±5.0 dyne/cm
Molar Volume: 193.0±5.0 cm3

Click to predict properties on the Chemicalize site


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