ChemSpider 2D Image | 3,7-Dibromo-6-fluoroisoquinoline | C9H4Br2FN

3,7-Dibromo-6-fluoroisoquinoline

  • Molecular FormulaC9H4Br2FN
  • Average mass304.941 Da
  • Monoisotopic mass302.869446 Da
  • ChemSpider ID67178470

More details:

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

3,7-Dibrom-6-fluorisochinolin [German] [ACD/IUPAC Name]
3,7-Dibromo-6-fluoroisoquinoléine [French] [ACD/IUPAC Name]
3,7-Dibromo-6-fluoroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 3,7-dibromo-6-fluoro- [ACD/Index Name]
1841444-16-3 [RN]
atoms 13 bonds 14
MFCD31556603

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

Density: 2.0±0.1 g/cm3
Boiling Point: 371.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 178.5±26.5 °C
Index of Refraction: 1.674
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 340.29
ACD/KOC (pH 5.5): 2258.93
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 340.30
ACD/KOC (pH 7.4): 2259.00
Polar Surface Area: 13 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 153.4±3.0 cm3

Click to predict properties on the Chemicalize site


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