ChemSpider 2D Image | 3-[6-Bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile | C19H10BrClFN5O

3-[6-Bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile

  • Molecular FormulaC19H10BrClFN5O
  • Average mass458.671 Da
  • Monoisotopic mass456.974121 Da
  • ChemSpider ID24689553

More details:

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

3-[6-Brom-2-fluor-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorbenzonitril [German] [ACD/IUPAC Name]
3-[6-Bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile [ACD/IUPAC Name]
3-[6-Bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylméthyl)phénoxy]-5-chlorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chloro- [ACD/Index Name]
3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl}phenoxy)-5-chlorobenzonitrile
annulated pyrazole compound, 6
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL456649/
PZL

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

Density: 1.8±0.1 g/cm3
Boiling Point: 579.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.2±32.9 °C
Index of Refraction: 1.732
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2298.35
ACD/KOC (pH 5.5): 8608.25
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 335.52
ACD/KOC (pH 7.4): 1256.67
Polar Surface Area: 87 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 90.1±5.0 dyne/cm
Molar Volume: 261.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement