ChemSpider 2D Image | 3-Chloro-5,8-difluoroisoquinoline | C9H4ClF2N

3-Chloro-5,8-difluoroisoquinoline

  • Molecular FormulaC9H4ClF2N
  • Average mass199.585 Da
  • Monoisotopic mass199.000031 Da
  • ChemSpider ID52965888

More details:

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

3-Chlor-5,8-difluorisochinolin [German] [ACD/IUPAC Name]
3-Chloro-5,8-difluoroisoquinoléine [French] [ACD/IUPAC Name]
3-Chloro-5,8-difluoroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 3-chloro-5,8-difluoro- [ACD/Index Name]
1701801-67-3 [RN]
MFCD30753130

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

Density: 1.5±0.1 g/cm3
Boiling Point: 298.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.7±3.0 kJ/mol
Flash Point: 134.3±25.9 °C
Index of Refraction: 1.602
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.07
ACD/KOC (pH 5.5): 844.47
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.07
ACD/KOC (pH 7.4): 844.47
Polar Surface Area: 13 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 137.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement