ChemSpider 2D Image | 3,7-Difluoroisoquinoline | C9H5F2N

3,7-Difluoroisoquinoline

  • Molecular FormulaC9H5F2N
  • Average mass165.139 Da
  • Monoisotopic mass165.039001 Da
  • ChemSpider ID61084093

More details:

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

3,7-Difluorisochinolin [German] [ACD/IUPAC Name]
3,7-Difluoroisoquinoléine [French] [ACD/IUPAC Name]
3,7-Difluoroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 3,7-difluoro- [ACD/Index Name]
82455-44-5 [RN]
MFCD28679258

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

Density: 1.3±0.1 g/cm3
Boiling Point: 270.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 117.1±21.8 °C
Index of Refraction: 1.589
Molar Refractivity: 42.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.15
ACD/KOC (pH 5.5): 388.99
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.15
ACD/KOC (pH 7.4): 389.01
Polar Surface Area: 13 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 125.2±3.0 cm3

Click to predict properties on the Chemicalize site


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