ChemSpider 2D Image | 3-Chloro-4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzonitrile | C14H9ClN4O

3-Chloro-4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzonitrile

  • Molecular FormulaC14H9ClN4O
  • Average mass284.701 Da
  • Monoisotopic mass284.046478 Da
  • ChemSpider ID65091439

More details:

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

3-Chlor-4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzonitril [German] [ACD/IUPAC Name]
3-Chloro-4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzonitrile [ACD/IUPAC Name]
3-Chloro-4-[(2-méthyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-chloro-4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 74.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 48.74
ACD/KOC (pH 5.5): 557.28
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.20
ACD/KOC (pH 7.4): 574.05
Polar Surface Area: 75 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 192.4±5.0 cm3

Click to predict properties on the Chemicalize site


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