ChemSpider 2D Image | 3-Chloro-7-ethynylisoquinoline | C11H6ClN

3-Chloro-7-ethynylisoquinoline

  • Molecular FormulaC11H6ClN
  • Average mass187.625 Da
  • Monoisotopic mass187.018875 Da
  • ChemSpider ID60852823

More details:

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

3-Chlor-7-ethinylisochinolin [German] [ACD/IUPAC Name]
3-Chloro-7-éthynylisoquinoléine [French] [ACD/IUPAC Name]
3-Chloro-7-ethynylisoquinoline [ACD/IUPAC Name]
Isoquinoline, 3-chloro-7-ethynyl- [ACD/Index Name]
1822653-42-8 [RN]
MFCD24386195

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

Density: 1.3±0.1 g/cm3
Boiling Point: 335.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 187.0±7.9 °C
Index of Refraction: 1.662
Molar Refractivity: 54.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.40
ACD/KOC (pH 5.5): 1035.23
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.41
ACD/KOC (pH 7.4): 1035.28
Polar Surface Area: 13 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 145.9±5.0 cm3

Click to predict properties on the Chemicalize site


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